3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one

C12H20O2 — CID 116709029

IUPAC3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
SMILESCOC(C(=O)CC1CCCC1)C1CC1
InChIInChI=1S/C12H20O2/c1-14-12(10-6-7-10)11(13)8-9-4-2-3-5-9/h9-10,12H,2-8H2,1H3
InChIKeyOMKDFHZCFRNVNX-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds5

About 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one

3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one (PubChem CID 116709029) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one.

Molecular Properties

Compound Name3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
PubChem CID116709029
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
SMILESCOC(C(=O)CC1CCCC1)C1CC1
InChIInChI=1S/C12H20O2/c1-14-12(10-6-7-10)11(13)8-9-4-2-3-5-9/h9-10,12H,2-8H2,1H3
InChIKeyOMKDFHZCFRNVNX-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-methoxybutan-2-one
CID 83225361
1-cyclobutyl-3-methoxybutan-2-one
CID 79616644
1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
CID 116709099
1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one
CID 116709178
1-cyclohexyl-1-methoxypent-4-en-2-one
CID 116750869
1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
1-cyclobutyl-3-methoxy-4,4-dimethylpentan-2-one
CID 116709725
1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one
CID 116750907
1-cyclopropyl-1-methoxyhex-5-en-2-one
CID 116708905
1-cyclopropyl-1-methoxytetradecan-2-one
CID 116708948
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
1-cyclopentyl-3-hydroxypentan-2-one
CID 103452923

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one?
The IUPAC name of 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one (CID 116709029) is 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one.
What is the SMILES notation for 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one?
The canonical SMILES for 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one is COC(C(=O)CC1CCCC1)C1CC1.
What is the InChIKey of 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one?
The InChIKey is OMKDFHZCFRNVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-14-12(10-6-7-10)11(13)8-9-4-2-3-5-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one?
3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one is sourced from PubChem (CID 116709029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).