2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol

C12H20O — CID 134858730

IUPAC2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol
SMILESC=CC1(O)CCCCC1/C(C)=C/C
InChIInChI=1S/C12H20O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h4-5,11,13H,2,6-9H2,1,3H3/b10-4+
InChIKeyROCGQQORWAOFQJ-ONNFQVAWSA-N
MW180.29 g/mol
LogP3.06
Rot. Bonds2

About 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol

2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol (PubChem CID 134858730) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol
PubChem CID134858730
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol
SMILESC=CC1(O)CCCCC1/C(C)=C/C
InChIInChI=1S/C12H20O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h4-5,11,13H,2,6-9H2,1,3H3/b10-4+
InChIKeyROCGQQORWAOFQJ-ONNFQVAWSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

trans-(1R,2R)-1-ethenyl-2-(1-tripropylsilylethenyl)cyclohexan-1-ol
CID 10881406
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile
CID 14194817
trans-(1S,2R)-1-ethenyl-2-[3-[(E)-3-phenylbut-2-enoxy]prop-1-en-2-yl]cyclohexan-1-ol
CID 12015876
1-ethenyl-2-(2-methylpentan-3-yl)cyclopentan-1-ol
CID 118116828
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
CID 138975442
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691
1-ethenylcyclohexane-1,2-dicarboxylic acid
CID 156868252
1-ethenyl-2-hexylcyclopentan-1-ol
CID 118116896
cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol
CID 14468530

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol (CID 134858730) is 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol is C=CC1(O)CCCCC1/C(C)=C/C.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol?
The InChIKey is ROCGQQORWAOFQJ-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H20O/c1-4-10(3)11-8-6-7-9-12(11,13)5-2/h4-5,11,13H,2,6-9H2,1,3H3/b10-4+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol?
2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol is sourced from PubChem (CID 134858730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).