1-cyclobutyl-3-methoxybutan-2-one

C9H16O2 — CID 79616644

IUPAC1-cyclobutyl-3-methoxybutan-2-one
SMILESCOC(C)C(=O)CC1CCC1
InChIInChI=1S/C9H16O2/c1-7(11-2)9(10)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyMTXWBDWOSXAKPO-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds4

About 1-cyclobutyl-3-methoxybutan-2-one

1-cyclobutyl-3-methoxybutan-2-one (PubChem CID 79616644) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-cyclobutyl-3-methoxybutan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-methoxybutan-2-one
PubChem CID79616644
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-cyclobutyl-3-methoxybutan-2-one
SMILESCOC(C)C(=O)CC1CCC1
InChIInChI=1S/C9H16O2/c1-7(11-2)9(10)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyMTXWBDWOSXAKPO-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
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1-cyclopentyl-3-hydroxybutan-2-one
CID 103451317
3-cyclobutyl-1-(cyclobutylmethylamino)-1-methylsulfanylpropan-2-one
CID 166946195
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
(3R)-3-amino-1-cyclohexyl-4-methylpentan-2-one
CID 58418389
4-cyclopentyl-2-methyl-3-oxobutanenitrile
CID 60758153

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methoxybutan-2-one?
The IUPAC name of 1-cyclobutyl-3-methoxybutan-2-one (CID 79616644) is 1-cyclobutyl-3-methoxybutan-2-one.
What is the SMILES notation for 1-cyclobutyl-3-methoxybutan-2-one?
The canonical SMILES for 1-cyclobutyl-3-methoxybutan-2-one is COC(C)C(=O)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-methoxybutan-2-one?
The InChIKey is MTXWBDWOSXAKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(11-2)9(10)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-methoxybutan-2-one?
1-cyclobutyl-3-methoxybutan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methoxybutan-2-one is sourced from PubChem (CID 79616644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).