2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one

C16H28O2 — CID 59143495

IUPAC2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one
SMILESCC(C)CC(=O)C(CC1CC1)OCC1CCCC1
InChIInChI=1S/C16H28O2/c1-12(2)9-15(17)16(10-13-7-8-13)18-11-14-5-3-4-6-14/h12-14,16H,3-11H2,1-2H3
InChIKeyWNTFIFXJKANOQK-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.98
Rot. Bonds8

About 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one

2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one (PubChem CID 59143495) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one
PubChem CID59143495
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one
SMILESCC(C)CC(=O)C(CC1CC1)OCC1CCCC1
InChIInChI=1S/C16H28O2/c1-12(2)9-15(17)16(10-13-7-8-13)18-11-14-5-3-4-6-14/h12-14,16H,3-11H2,1-2H3
InChIKeyWNTFIFXJKANOQK-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopentyl-3-ethoxypropan-2-one
CID 316616
(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
CID 134965647
7-Oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 57158774
15-Methyl-16-oxabicyclo[11.2.1]hexadecan-2-one
CID 57935594
(1-Cyclopropyl-3,7,7-trideuterio-4-methyl-2-oxooctan-3-yl) acetate
CID 58519804
2-(Cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143468
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-(cyclopentylmethoxy)-5,5-dimethylhexan-3-one
CID 59143503
1-Cyclopropyl-2-ethoxy-5,5-dimethylhexan-3-one
CID 59143514

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one?
The IUPAC name of 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one (CID 59143495) is 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one.
What is the SMILES notation for 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one?
The canonical SMILES for 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one is CC(C)CC(=O)C(CC1CC1)OCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one?
The InChIKey is WNTFIFXJKANOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-12(2)9-15(17)16(10-13-7-8-13)18-11-14-5-3-4-6-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one?
2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one has a molecular weight of 252.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one is sourced from PubChem (CID 59143495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).