1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one

C11H20O2 — CID 116923369

IUPAC1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
SMILESCC(C)C(CO)C(=O)C1CCCC1
InChIInChI=1S/C11H20O2/c1-8(2)10(7-12)11(13)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyCFOQWDZNKUFURM-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds4

About 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one

1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one (PubChem CID 116923369) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
PubChem CID116923369
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
SMILESCC(C)C(CO)C(=O)C1CCCC1
InChIInChI=1S/C11H20O2/c1-8(2)10(7-12)11(13)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3
InChIKeyCFOQWDZNKUFURM-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647
1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923569
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057
3-amino-1-cyclopentyl-2-methylbutan-1-one
CID 116612102
(2S)-2-amino-1-cyclopentyl-3-methylbutan-1-one
CID 174421994
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
CID 91067725
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
CID 143362777
4-cyclohexyl-3-methyl-4-oxobutanoic acid
CID 15053856
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
1-cyclobutyl-2-methylbutan-1-one
CID 79446135

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one?
The IUPAC name of 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one (CID 116923369) is 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one?
The canonical SMILES for 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one is CC(C)C(CO)C(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one?
The InChIKey is CFOQWDZNKUFURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)10(7-12)11(13)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one?
1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one is sourced from PubChem (CID 116923369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).