Cas no 5208-50-4 ((1R,4S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE)
![(1R,4S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE structure](https://ossimg.kuujia.com/scimg/5500/5208-50-4x500.png)
5208-50-4 structure
Product Name:(1R,4S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE
CAS No:5208-50-4
MF:C10H16
MW:136.234043121338
CID:826049
PubChem ID:16211587
Update Time:2025-04-19
(1R,4S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE Chemical and Physical Properties
Names and Identifiers
-
- (1R,4S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE
- (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]hept-2-ene
- (1S,3S)-trans-4-Carene
- BICYCLO(4.1.0)HEPT-2-ENE, 4,7,7-TRIMETHYL-, (1.ALPHA.,4.ALPHA.,6.ALPHA.)-
- Bicyclo(4.1.0)hept-2-ene, 4,7,7-trimethyl-, (1alpha,4alpha,6alpha)-
- Bicyclo(4.1.0)hept-2-ene, 4,7,7-trimethyl-, (1R,4S,6S)-
- (-)-car-4-ene
- 2TAX77JNCY
- 5VQ84P9UNH
- BICYCLO(4.1.0)HEPT-2-ENE, 4,7,7-TRIMETHYL-, (1R-(1.ALPHA.,4.ALPHA.,6.ALPHA.))-
- Bicyclo(4.1.0)hept-2-ene, 4,7,7-trimethyl-, (1R-(1alpha,4alpha,6alpha))-
- (1S,3S)-trans-4-Carene, technical, >=85% (sum of enantiomers, GC)
- DTXSID801229508
- 4-Carene, trans-
- CHEBI:87676
- UNII-5VQ84P9UNH
- 4-Carene, trans-(-)-
- 93779-69-2
- 4-Carene, (1S,3S,6R)-(-)-
- Q27159821
- 5208-50-4
- UNII-2TAX77JNCY
-
- Inchi： 1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m1/s1
- InChI Key： LGNSZMLHOYDATP-HLTSFMKQSA-N
- SMILES： C1(C)(C)[C@@H]2C=C[C@@H](C)C[C@H]12
Computed Properties
- Exact Mass: 136.125200510g/mol
- Monoisotopic Mass: 136.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.856?g/mL?at 20?°C(lit.)
- Boiling Point: 154°C at 760 mmHg
- Flash Point: 38?°C
- Refractive Index: n20/D 1.471
- LogP: 2.85460
(1R,4S)-4,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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