2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one

C11H20O2 — CID 23443017

IUPAC2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one
SMILESCC1CC(C(C)C)CC(CO)C1=O
InChIInChI=1S/C11H20O2/c1-7(2)9-4-8(3)11(13)10(5-9)6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyMHDLVFFRZJMHRC-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds2

About 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one

2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one (PubChem CID 23443017) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one
PubChem CID23443017
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one
SMILESCC1CC(C(C)C)CC(CO)C1=O
InChIInChI=1S/C11H20O2/c1-7(2)9-4-8(3)11(13)10(5-9)6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyMHDLVFFRZJMHRC-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one (CID 23443017) is 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one is CC1CC(C(C)C)CC(CO)C1=O.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one?
The InChIKey is MHDLVFFRZJMHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)9-4-8(3)11(13)10(5-9)6-12/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one?
2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 23443017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).