trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol

C12H20O — CID 178185708

IUPACtrans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol
SMILESC=CC[C@H]1CCCC[C@]1(O)CC=C
InChIInChI=1S/C12H20O/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h3-4,11,13H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyUXFDPTQVWARPPR-NWDGAFQWSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds4

About trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol

trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol (PubChem CID 178185708) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol
PubChem CID178185708
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nametrans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol
SMILESC=CC[C@H]1CCCC[C@]1(O)CC=C
InChIInChI=1S/C12H20O/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h3-4,11,13H,1-2,5-10H2/t11-,12+/m0/s1
InChIKeyUXFDPTQVWARPPR-NWDGAFQWSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Allyl-1-cyclohexanol
CID 79145
2-Cyclohexylpent-4-en-2-ol
CID 15497572
Cyclododecanol, 1-(2-propenyl)-
CID 11770111
(R)-2-cyclohexyl-1,1,1-trifluoropent-4-en-2-ol
CID 118988123
2-Cyclohexyl-hex-5-en-2-ol
CID 538697
Cyclohexanol, 1-(1-methyl-2-propenyl)-
CID 3496268
Cyclohexanemethanol, 2-(2-propenyl)-, trans-
CID 12910245
1-(2-Methylbut-3-enyl)cyclohexan-1-ol
CID 11062805
1,2-Diethenylcyclohexan-1-ol
CID 12615534
2-Isopropenyl-1-vinylcyclohexan-1-ol
CID 12677739
1,1-Dicyclohexylbut-3-en-1-ol
CID 20571540
cis-1-Ethenyl-2-hydroxymethyl-cyclohexane
CID 22854364

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol (CID 178185708) is trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol is C=CC[C@H]1CCCC[C@]1(O)CC=C.
What is the InChIKey of trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol?
The InChIKey is UXFDPTQVWARPPR-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20O/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h3-4,11,13H,1-2,5-10H2/t11-,12+/m0/s1.
What are the key properties of trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol?
trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1,2-bis(prop-2-enyl)cyclohexan-1-ol is sourced from PubChem (CID 178185708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).