1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol

C14H24O — CID 11608159

IUPAC1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol
SMILESC=C[C@@H]1CCC[C@H](C(O)CCC(=C)C)C1
InChIInChI=1S/C14H24O/c1-4-12-6-5-7-13(10-12)14(15)9-8-11(2)3/h4,12-15H,1-2,5-10H2,3H3/t12-,13+,14?/m1/s1
InChIKeyQJXKODSUJRGGLD-AMIUJLCOSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds5

About 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol

1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol (PubChem CID 11608159) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol
PubChem CID11608159
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol
SMILESC=C[C@@H]1CCC[C@H](C(O)CCC(=C)C)C1
InChIInChI=1S/C14H24O/c1-4-12-6-5-7-13(10-12)14(15)9-8-11(2)3/h4,12-15H,1-2,5-10H2,3H3/t12-,13+,14?/m1/s1
InChIKeyQJXKODSUJRGGLD-AMIUJLCOSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
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

4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol
CID 114474025
1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol
CID 105127383
1,3-bis(ethenyl)cyclohexane;ethane;methane
CID 145016611
(1-cyclobutyl-5-methylhex-5-en-2-yl)hydrazine
CID 103170793
1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol
CID 105102218
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597
[1-(3-ethylcyclohexyl)-4-methylpent-4-enyl]hydrazine
CID 105232886
cis-(1S,3R)-3-ethenylcyclohexan-1-ol
CID 15329925
1-cycloheptylhex-5-en-1-ol
CID 65399153
1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine
CID 105039579
4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine
CID 114475823
(1R)-1-cyclopropylpent-4-en-1-ol
CID 96581912

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol?
The IUPAC name of 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol (CID 11608159) is 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol is C=C[C@@H]1CCC[C@H](C(O)CCC(=C)C)C1.
What is the InChIKey of 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol?
The InChIKey is QJXKODSUJRGGLD-AMIUJLCOSA-N. The full InChI is InChI=1S/C14H24O/c1-4-12-6-5-7-13(10-12)14(15)9-8-11(2)3/h4,12-15H,1-2,5-10H2,3H3/t12-,13+,14?/m1/s1.
What are the key properties of 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol?
1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol is sourced from PubChem (CID 11608159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).