di(cyclobutyl)methanone

C9H14O — CID 15444458

IUPACdi(cyclobutyl)methanone
SMILESO=C(C1CCC1)C1CCC1
InChIInChI=1S/C9H14O/c10-9(7-3-1-4-7)8-5-2-6-8/h7-8H,1-6H2
InChIKeyKMBSDQLXYYUBAS-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds2

About di(cyclobutyl)methanone

di(cyclobutyl)methanone (PubChem CID 15444458) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is di(cyclobutyl)methanone.

Molecular Properties

Compound Namedi(cyclobutyl)methanone
PubChem CID15444458
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namedi(cyclobutyl)methanone
SMILESO=C(C1CCC1)C1CCC1
InChIInChI=1S/C9H14O/c10-9(7-3-1-4-7)8-5-2-6-8/h7-8H,1-6H2
InChIKeyKMBSDQLXYYUBAS-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

di(cyclobutyl)methanone;trihydrochloride
CID 174768211
dicyclohexylmethanone;formaldehyde
CID 175300134
cyclobutyl(oxan-4-yl)methanone
CID 64982352
cyclohexanol;dicyclohexylmethanone
CID 174532304
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
cyclohexyl-(4-cyclopentylcyclohexyl)methanone
CID 141495223
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl(cyclobutyl)methanone
CID 25097848
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
cycloheptyl-(1-methylpiperidin-4-yl)methanone
CID 144802313
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cyclopentyl-(3,4-dimethylcyclohexyl)methanone
CID 64739226

Frequently Asked Questions

What is the IUPAC name of di(cyclobutyl)methanone?
The IUPAC name of di(cyclobutyl)methanone (CID 15444458) is di(cyclobutyl)methanone.
What is the SMILES notation for di(cyclobutyl)methanone?
The canonical SMILES for di(cyclobutyl)methanone is O=C(C1CCC1)C1CCC1.
What is the InChIKey of di(cyclobutyl)methanone?
The InChIKey is KMBSDQLXYYUBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-9(7-3-1-4-7)8-5-2-6-8/h7-8H,1-6H2.
What are the key properties of di(cyclobutyl)methanone?
di(cyclobutyl)methanone has a molecular weight of 138.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclobutyl)methanone is sourced from PubChem (CID 15444458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).