Cas no 640289-58-3 (4(15)-Oppositene-1,7-diol)
4(15)-Oppositene-1,7-diol structure
Product Name:4(15)-Oppositene-1,7-diol
CAS No:640289-58-3
MF:C15H26O2
MW:238.365745067596
CID:836855
PubChem ID:11075507
Update Time:2025-04-19
4(15)-Oppositene-1,7-diol Chemical and Physical Properties
Names and Identifiers
-
- 4(15)-Oppositene-1,7-diol
- (1S,3aR,4R,7aS)-1-[(1R)-1-Hydroxy-2-methylpropyl]-3a-methyl-7-met hyleneoctahydro-1H-inden-4-ol
- (1S,3AR,4R,7aS)-1-((R)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol
- 640289-58-3
- AKOS032948742
- (1S,3aR,4R,7aS)-1-[(1R)-1-hydroxy-2-methylpropyl]-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
- FS-8913
- [ "" ]
- (1S,3AR,4R,7AS)-1-[(1R)-1-HYDROXY-2-METHYLPROPYL]-3A-METHYL-7-METHYLIDENE-HEXAHYDRO-1H-INDEN-4-OL
-
- Inchi： 1S/C15H26O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14+,15-/m0/s1
- InChI Key： OZBVMKPZPKMEGY-JARUQAPTSA-N
- SMILES： O[C@@H]1CCC(=C)[C@@H]2[C@@H]([C@@H](C(C)C)O)CC[C@]21C
Computed Properties
- Exact Mass: 238.19300
- Monoisotopic Mass: 238.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Color/Form: Oil
- Density: 1.0±0.1 g/cm3
- Boiling Point: 337.4±35.0 °C at 760 mmHg
- Flash Point: 150.5±20.5 °C
- PSA: 40.46000
- LogP: 2.74670
- Vapor Pressure: 0.0±1.7 mmHg at 25°C
4(15)-Oppositene-1,7-diol Security Information
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4 ℃, better at -4 ℃
4(15)-Oppositene-1,7-diol Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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