2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one

C18H32O2 — CID 59143468

IUPAC2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
SMILESCC1CC1CC(OCC1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C18H32O2/c1-13-9-15(13)10-17(16(19)11-18(2,3)4)20-12-14-7-5-6-8-14/h13-15,17H,5-12H2,1-4H3
InChIKeyNBUFJOFWAWAIOZ-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.61
Rot. Bonds7

About 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one

2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one (PubChem CID 59143468) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
PubChem CID59143468
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
SMILESCC1CC1CC(OCC1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C18H32O2/c1-13-9-15(13)10-17(16(19)11-18(2,3)4)20-12-14-7-5-6-8-14/h13-15,17H,5-12H2,1-4H3
InChIKeyNBUFJOFWAWAIOZ-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)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

7-Oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 57158774
1-Cyclopentyl-2-ethoxy-5-methylhexan-3-one
CID 59143471
2-(Cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143476
1-Cyclopentyl-5-methyl-2-propoxyhexan-3-one
CID 59143484
2-(Cyclopentylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143487
1-Cyclobutyl-2-ethoxy-5,5-dimethylhexan-3-one
CID 59143492
2-(Cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one
CID 59143495
1-Cyclobutyl-2-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one
CID 59143503
1-Cyclopropyl-2-ethoxy-5,5-dimethylhexan-3-one
CID 59143514
2-(Cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
CID 59143519
5-Methyl-1-(2-methylcyclopropyl)-2-propoxyhexan-3-one
CID 59143534
1-Cyclobutyl-2-(cyclopropylmethoxy)-5,5-dimethylhexan-3-one
CID 59143538

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one?
The IUPAC name of 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one (CID 59143468) is 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one.
What is the SMILES notation for 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one?
The canonical SMILES for 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one is CC1CC1CC(OCC1CCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one?
The InChIKey is NBUFJOFWAWAIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-13-9-15(13)10-17(16(19)11-18(2,3)4)20-12-14-7-5-6-8-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one?
2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one has a molecular weight of 280.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one is sourced from PubChem (CID 59143468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).