Cas no 70174-49-1 (3-Oxabicyclo[4.1.0]hept-4-en-2-one, 4,7,7-trimethyl-, (1R)-)
![3-Oxabicyclo[4.1.0]hept-4-en-2-one, 4,7,7-trimethyl-, (1R)- structure](https://ossimg.kuujia.com/scimg/70500/70174-49-1x500.png)
70174-49-1 structure
Product Name:3-Oxabicyclo[4.1.0]hept-4-en-2-one, 4,7,7-trimethyl-, (1R)-
CAS No:70174-49-1
MF:C9H12O2
MW:152.190382957458
CID:547609
PubChem ID:11789393
Update Time:2025-04-19
3-Oxabicyclo[4.1.0]hept-4-en-2-one, 4,7,7-trimethyl-, (1R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxabicyclo[4.1.0]hept-4-en-2-one, 4,7,7-trimethyl-, (1R)-
- (6R)-3,7,7-trimethyl-4-oxabicyclo[4.1.0]hept-2-en-5-one
- (1R,6S)-4,7,7-Trimethyl-3-oxabicyclo[4.1.0]hept-4-en-2-one
- 3-oxabicy<wbr>
- LogP
- (1R,cis)-4,7,7-Trimethyl-3-oxabicyclo[4.1.0]hept-4-en-2-one
- SCHEMBL10696152
- EC 615-077-1
- (1R,6S)- 4,7,7-Trimethyl-3-oxabicyclo(4.1.0)hept-4-en-2-one
- 70174-49-1
- WHUFACPDKQXVMW-BQBZGAKWSA-N
-
- Inchi： 1S/C9H12O2/c1-5-4-6-7(8(10)11-5)9(6,2)3/h4,6-7H,1-3H3/t6-,7-/m0/s1
- InChI Key： WHUFACPDKQXVMW-BQBZGAKWSA-N
- SMILES： O1C(C)=C[C@H]2[C@@H](C1=O)C2(C)C
Computed Properties
- Exact Mass: 152.08376
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Oxabicyclo[4.1.0]hept-4-en-2-one, 4,7,7-trimethyl-, (1R)- Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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