6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one

C15H28O2 — CID 59054932

IUPAC6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one
SMILESCCC(=O)CCC[C@@H]1CC[C@@](C)(CO)C1(C)C
InChIInChI=1S/C15H28O2/c1-5-13(17)8-6-7-12-9-10-15(4,11-16)14(12,2)3/h12,16H,5-11H2,1-4H3/t12-,15+/m1/s1
InChIKeyZGDPFBBFAIBHAI-DOMZBBRYSA-N
MW240.39 g/mol
LogP3.57
Rot. Bonds6

About 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one

6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one (PubChem CID 59054932) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one.

Molecular Properties

Compound Name6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one
PubChem CID59054932
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one
SMILESCCC(=O)CCC[C@@H]1CC[C@@](C)(CO)C1(C)C
InChIInChI=1S/C15H28O2/c1-5-13(17)8-6-7-12-9-10-15(4,11-16)14(12,2)3/h12,16H,5-11H2,1-4H3/t12-,15+/m1/s1
InChIKeyZGDPFBBFAIBHAI-DOMZBBRYSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
CID 95004190
[3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl acetate
CID 20578019
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
heptadecane-3,7,11,15-tetrone
CID 160942813
1-(5,5-dimethyloxolan-2-yl)pentan-3-one
CID 116522536
1-hydroxydodecane-2,10-dione
CID 158814981
1,3-diethyl-1,2,2-trimethylcyclopentane
CID 123762745
methane;undecane-3,9-dione
CID 158816586
6-cyclopentylsulfonylhexan-3-one
CID 106808577
9-oxoundecanoic acid
CID 5282986
[2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 4633187
[(1R,2R,3S)-2-(bromomethyl)-3-(hydroxymethyl)-2,3-dimethylcyclopentyl]methanol
CID 7109758

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one?
The IUPAC name of 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one (CID 59054932) is 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one.
What is the SMILES notation for 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one?
The canonical SMILES for 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one is CCC(=O)CCC[C@@H]1CC[C@@](C)(CO)C1(C)C.
What is the InChIKey of 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one?
The InChIKey is ZGDPFBBFAIBHAI-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-13(17)8-6-7-12-9-10-15(4,11-16)14(12,2)3/h12,16H,5-11H2,1-4H3/t12-,15+/m1/s1.
What are the key properties of 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one?
6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one has a molecular weight of 240.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]hexan-3-one is sourced from PubChem (CID 59054932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).