1-cyclopropyl-1-methoxybutan-2-one

C8H14O2 — CID 83225361

IUPAC1-cyclopropyl-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)C1CC1
InChIInChI=1S/C8H14O2/c1-3-7(9)8(10-2)6-4-5-6/h6,8H,3-5H2,1-2H3
InChIKeyRBRDSRICIQBRFD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds4

About 1-cyclopropyl-1-methoxybutan-2-one

1-cyclopropyl-1-methoxybutan-2-one (PubChem CID 83225361) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxybutan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxybutan-2-one
PubChem CID83225361
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-cyclopropyl-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)C1CC1
InChIInChI=1S/C8H14O2/c1-3-7(9)8(10-2)6-4-5-6/h6,8H,3-5H2,1-2H3
InChIKeyRBRDSRICIQBRFD-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 116709178
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3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
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1-cyclopropyl-1-methoxyhex-5-en-2-one
CID 116708905
1-cyclohexyl-1-methoxypent-4-en-2-one
CID 116750869
1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
CID 116709099
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
2-(4-aminocyclohexyl)-2-methoxyacetamide
CID 91129607
1-cyclohexyl-5,5,5-trifluoro-1-methoxypentan-2-one
CID 116750907
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
CID 116709160
(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
CID 101013747

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxybutan-2-one?
The IUPAC name of 1-cyclopropyl-1-methoxybutan-2-one (CID 83225361) is 1-cyclopropyl-1-methoxybutan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-methoxybutan-2-one?
The canonical SMILES for 1-cyclopropyl-1-methoxybutan-2-one is CCC(=O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxybutan-2-one?
The InChIKey is RBRDSRICIQBRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7(9)8(10-2)6-4-5-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxybutan-2-one?
1-cyclopropyl-1-methoxybutan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxybutan-2-one is sourced from PubChem (CID 83225361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).