(2R)-2-(cyclohexylmethoxy)pentan-3-one

C12H22O2 — CID 163532136

IUPAC(2R)-2-(cyclohexylmethoxy)pentan-3-one
SMILESCCC(=O)[C@@H](C)OCC1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyDTWQATLNKYSABP-SNVBAGLBSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds5

About (2R)-2-(cyclohexylmethoxy)pentan-3-one

(2R)-2-(cyclohexylmethoxy)pentan-3-one (PubChem CID 163532136) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethoxy)pentan-3-one.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethoxy)pentan-3-one
PubChem CID163532136
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2R)-2-(cyclohexylmethoxy)pentan-3-one
SMILESCCC(=O)[C@@H](C)OCC1CCCCC1
InChIInChI=1S/C12H22O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyDTWQATLNKYSABP-SNVBAGLBSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(cyclohexylmethoxy)pentan-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

2-(cyclopentylmethoxy)propanoic acid
CID 66322360
2-(cyclobutylmethoxy)propanamide
CID 164935394
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
CID 62381541
2-(cyclopentylmethoxy)-1-(4-ethylphenyl)propan-1-one
CID 66322866
2-(cyclopentylmethoxy)butanoic acid
CID 66324485
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-methylpropanoate
CID 21063892
3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one
CID 59143648
methyl (2R)-2-(cycloheptylmethoxy)-4-methylpentanoate
CID 114282489
N-[1,3-bis(cyclohexylmethoxy)butan-2-yl]acetamide
CID 164604144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethoxy)pentan-3-one?
The IUPAC name of (2R)-2-(cyclohexylmethoxy)pentan-3-one (CID 163532136) is (2R)-2-(cyclohexylmethoxy)pentan-3-one.
What is the SMILES notation for (2R)-2-(cyclohexylmethoxy)pentan-3-one?
The canonical SMILES for (2R)-2-(cyclohexylmethoxy)pentan-3-one is CCC(=O)[C@@H](C)OCC1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylmethoxy)pentan-3-one?
The InChIKey is DTWQATLNKYSABP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethoxy)pentan-3-one?
(2R)-2-(cyclohexylmethoxy)pentan-3-one has a molecular weight of 198.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethoxy)pentan-3-one is sourced from PubChem (CID 163532136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).