trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol

C11H18O — CID 10702229

IUPACtrans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@H]1CCCC[C@]1(O)C=C
InChIInChI=1S/C11H18O/c1-3-7-10-8-5-6-9-11(10,12)4-2/h3-4,10,12H,1-2,5-9H2/t10-,11+/m0/s1
InChIKeyYBXRREKCKRAWAQ-WDEREUQCSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds3

About trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol

trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol (PubChem CID 10702229) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
PubChem CID10702229
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nametrans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
SMILESC=CC[C@H]1CCCC[C@]1(O)C=C
InChIInChI=1S/C11H18O/c1-3-7-10-8-5-6-9-11(10,12)4-2/h3-4,10,12H,1-2,5-9H2/t10-,11+/m0/s1
InChIKeyYBXRREKCKRAWAQ-WDEREUQCSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
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

cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314
2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile
CID 14194817
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
1-cyclohexyl-2-prop-2-enylcyclohexane-1-carboxylic acid
CID 174583937
2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol
CID 134858730
[(1S,2R)-1-ethynyl-2-prop-2-enylcyclohexyl] acetate
CID 102265725
1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol
CID 153378510
1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
CID 70503780
trans-(1R,2R)-1-ethenyl-2-(1-tripropylsilylethenyl)cyclohexan-1-ol
CID 10881406
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
2-prop-2-enyl-2,3,4,4a,5,6,7,8-octahydrochromen-8a-ol
CID 13419272

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol (CID 10702229) is trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol is C=CC[C@H]1CCCC[C@]1(O)C=C.
What is the InChIKey of trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol?
The InChIKey is YBXRREKCKRAWAQ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O/c1-3-7-10-8-5-6-9-11(10,12)4-2/h3-4,10,12H,1-2,5-9H2/t10-,11+/m0/s1.
What are the key properties of trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol?
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol is sourced from PubChem (CID 10702229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).