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

C15H24O2 — CID 12051505

IUPAC(6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
SMILESCC(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1=O
InChIInChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15-/m1/s1
InChIKeyHYQNKKAJVPMBDR-UKRRQHHQSA-N
MW236.35 g/mol
LogP3.41
Rot. Bonds4

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

(6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one (PubChem CID 12051505) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
PubChem CID12051505
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
SMILESCC(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1=O
InChIInChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15-/m1/s1
InChIKeyHYQNKKAJVPMBDR-UKRRQHHQSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one?
The IUPAC name of (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one (CID 12051505) is (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one is CC(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1=O.
What is the InChIKey of (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one?
The InChIKey is HYQNKKAJVPMBDR-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)10-14(13)16/h6,10,13,17H,5,7-9H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one?
(6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 12051505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).