(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one

C15H26O2 — CID 163094915

IUPAC(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@@H]([C@@H](C)CCC[C@H](C)CO)CC1
InChIInChI=1S/C15H26O2/c1-11-7-8-14(15(17)9-11)13(3)6-4-5-12(2)10-16/h9,12-14,16H,4-8,10H2,1-3H3/t12-,13-,14+/m0/s1
InChIKeyMAXNBGSKPQFIED-MELADBBJSA-N
MW238.37 g/mol
LogP3.35
Rot. Bonds6

About (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one

(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one (PubChem CID 163094915) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one
PubChem CID163094915
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@@H]([C@@H](C)CCC[C@H](C)CO)CC1
InChIInChI=1S/C15H26O2/c1-11-7-8-14(15(17)9-11)13(3)6-4-5-12(2)10-16/h9,12-14,16H,4-8,10H2,1-3H3/t12-,13-,14+/m0/s1
InChIKeyMAXNBGSKPQFIED-MELADBBJSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one with MolForge

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Related Compounds

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CID 91604
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CID 11393311
Bisacurone
CID 14287397
15-Hydroxysolavetivone
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Isopetasol
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Crocusatin C
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(+)-Hernandulcin
CID 125608
3-(4-Hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CID 162105
(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
CID 73810597
Petasol
CID 5275907
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 118284
2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-
CID 520295

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one?
The IUPAC name of (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one (CID 163094915) is (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one?
The canonical SMILES for (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one is CC1=CC(=O)[C@@H]([C@@H](C)CCC[C@H](C)CO)CC1.
What is the InChIKey of (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one?
The InChIKey is MAXNBGSKPQFIED-MELADBBJSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-7-8-14(15(17)9-11)13(3)6-4-5-12(2)10-16/h9,12-14,16H,4-8,10H2,1-3H3/t12-,13-,14+/m0/s1.
What are the key properties of (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one?
(6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2S,6S)-7-hydroxy-6-methylheptan-2-yl]-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 163094915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).