6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one

C15H26O2 — CID 10988344

IUPAC6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(C(C)CCCC(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
InChIKeyMAXNBGSKPQFIED-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.35
Rot. Bonds6

About 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one

6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one (PubChem CID 10988344) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one
PubChem CID10988344
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(C(C)CCCC(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
InChIKeyMAXNBGSKPQFIED-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one?
The IUPAC name of 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one (CID 10988344) is 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one?
The canonical SMILES for 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one is CC1=CC(=O)C(C(C)CCCC(C)CO)CC1.
What is the InChIKey of 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one?
The InChIKey is MAXNBGSKPQFIED-UHFFFAOYSA-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.
What are the key properties of 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one?
6-(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 6-(7-hydroxy-6-methylheptan-2-yl)-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10988344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).