3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one

C14H24O2 — CID 11075064

IUPAC3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one
SMILESCC(C)=CCC[C@H](C)C1CCC(=O)CC1O
InChIInChI=1S/C14H24O2/c1-10(2)5-4-6-11(3)13-8-7-12(15)9-14(13)16/h5,11,13-14,16H,4,6-9H2,1-3H3/t11-,13?,14?/m0/s1
InChIKeySVHHBNJXLXQYSE-XGNXJENSSA-N
MW224.34 g/mol
LogP3.10
Rot. Bonds4

About 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one

3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one (PubChem CID 11075064) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one
PubChem CID11075064
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one
SMILESCC(C)=CCC[C@H](C)C1CCC(=O)CC1O
InChIInChI=1S/C14H24O2/c1-10(2)5-4-6-11(3)13-8-7-12(15)9-14(13)16/h5,11,13-14,16H,4,6-9H2,1-3H3/t11-,13?,14?/m0/s1
InChIKeySVHHBNJXLXQYSE-XGNXJENSSA-N
XLogP3.10
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 ≤ 53.10
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

3-hydroxy-4-(6-methylhept-5-en-2-yl)cyclohexene-1-carboxylic acid
CID 162944174
(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
4-hydroxy-2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-one
CID 155887258
(1R,3aS,4R,5S,8aR)-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulene-1,4-diol
CID 101316750
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
(3aS,4R,5S,8aR)-3-methyl-5-(6-methylhept-5-en-2-yl)-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
CID 23426378
cis-(3S,4R)-3,4-di(propan-2-yl)cyclohexan-1-one
CID 121421968
[(4S)-4-[(2R)-6-methylhept-5-en-2-yl]-3-oxocyclohexen-1-yl]methyl acetate
CID 162983853
(1S,3aE,6E,10S,10aS)-7-methyl-10-[(2R)-6-methylhept-5-en-2-yl]-3,5,8,9,10,10a-hexahydro-1H-cyclonona[c]furan-1-ol
CID 162890853
(1E,4E,8R)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]cyclonona-1,4-diene-1-carbaldehyde
CID 163028991
1,6-dimethyl-4-(6-methylhept-5-en-2-yl)-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 14707361

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one?
The IUPAC name of 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one (CID 11075064) is 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one.
What is the SMILES notation for 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one?
The canonical SMILES for 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one is CC(C)=CCC[C@H](C)C1CCC(=O)CC1O.
What is the InChIKey of 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one?
The InChIKey is SVHHBNJXLXQYSE-XGNXJENSSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)5-4-6-11(3)13-8-7-12(15)9-14(13)16/h5,11,13-14,16H,4,6-9H2,1-3H3/t11-,13?,14?/m0/s1.
What are the key properties of 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one?
3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one is sourced from PubChem (CID 11075064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).