1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone

C14H24O2 — CID 102050999

IUPAC1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone
SMILESCC(=O)[C@@]1(CCC=C(C)C)CCCC[C@H]1O
InChIInChI=1S/C14H24O2/c1-11(2)7-6-10-14(12(3)15)9-5-4-8-13(14)16/h7,13,16H,4-6,8-10H2,1-3H3/t13-,14+/m1/s1
InChIKeySAWUXMUFAFSVCW-KGLIPLIRSA-N
MW224.34 g/mol
LogP3.24
Rot. Bonds4

About 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone

1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone (PubChem CID 102050999) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone
PubChem CID102050999
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone
SMILESCC(=O)[C@@]1(CCC=C(C)C)CCCC[C@H]1O
InChIInChI=1S/C14H24O2/c1-11(2)7-6-10-14(12(3)15)9-5-4-8-13(14)16/h7,13,16H,4-6,8-10H2,1-3H3/t13-,14+/m1/s1
InChIKeySAWUXMUFAFSVCW-KGLIPLIRSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R)-1-but-3-enyl-2-hydroxycyclopentyl]ethanone
CID 102051003
1-[(1S,2S)-2-hydroxy-1-methylcyclohexyl]ethanone
CID 42646159
1-[(1R,2R)-1,2-dihydroxycyclohexyl]ethanone
CID 130753130
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
CID 165442832
2,2-dimethylcyclohexan-1-ol
CID 557637
trans-ethyl (1R,2S)-1-(2-cyanoethyl)-2-hydroxycyclohexane-1-carboxylate
CID 10922189
cis-(1S,2S)-1-but-2-ynyl-2-hydroxycyclopentane-1-carboxylic acid
CID 10535426
3-(4-methylpent-3-enyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171952164
1-cyclopentyl-7-methyloct-6-en-1-one
CID 59350158
trans-(1R,2R)-1,2-dihydroxycyclohexane-1-carbaldehyde
CID 45083540
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
CID 100924279

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone?
The IUPAC name of 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone (CID 102050999) is 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone is CC(=O)[C@@]1(CCC=C(C)C)CCCC[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone?
The InChIKey is SAWUXMUFAFSVCW-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)7-6-10-14(12(3)15)9-5-4-8-13(14)16/h7,13,16H,4-6,8-10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone?
1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone has a molecular weight of 224.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone is sourced from PubChem (CID 102050999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).