3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one

C16H30O2 — CID 59143648

IUPAC3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one
SMILESCC(C)CC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C16H30O2/c1-12(2)10-14(17)15(16(3,4)5)18-11-13-8-6-7-9-13/h12-13,15H,6-11H2,1-5H3
InChIKeyZJZSZYOKLIHUCI-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.22
Rot. Bonds6

About 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one

3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one (PubChem CID 59143648) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one
PubChem CID59143648
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one
SMILESCC(C)CC(=O)C(OCC1CCCC1)C(C)(C)C
InChIInChI=1S/C16H30O2/c1-12(2)10-14(17)15(16(3,4)5)18-11-13-8-6-7-9-13/h12-13,15H,6-11H2,1-5H3
InChIKeyZJZSZYOKLIHUCI-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-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)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 21366296
2-(cyclopentylmethoxy)-N,3,3-trimethylbutanamide
CID 70921332
2,2,6-trimethyl-3-propoxyheptan-4-one
CID 59143515
2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
CID 140911434
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136
2-(cyclopentylmethoxy)propanehydrazide
CID 66321450
cyclopentylmethyl 2-amino-3,3-dimethylbutanoate
CID 66321580
2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
CID 59143519
1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
CID 59143577
ethyl 3-(cyclohexylmethoxy)butanoate
CID 115003091
1-cyclobutyl-3-methoxy-4,4-dimethylpentan-2-one
CID 116709725

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one?
The IUPAC name of 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one (CID 59143648) is 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one.
What is the SMILES notation for 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one?
The canonical SMILES for 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one is CC(C)CC(=O)C(OCC1CCCC1)C(C)(C)C.
What is the InChIKey of 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one?
The InChIKey is ZJZSZYOKLIHUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-12(2)10-14(17)15(16(3,4)5)18-11-13-8-6-7-9-13/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one?
3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one has a molecular weight of 254.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-2,2,6-trimethylheptan-4-one is sourced from PubChem (CID 59143648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).