1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone

C14H24O — CID 130192513

IUPAC1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(CC2(C)CCC2)CC1
InChIInChI=1S/C14H24O/c1-11(15)13-6-4-12(5-7-13)10-14(2)8-3-9-14/h12-13H,3-10H2,1-2H3
InChIKeyNEWNLTYUPHPTLN-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.96
Rot. Bonds3

About 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone

1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone (PubChem CID 130192513) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone
PubChem CID130192513
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(CC2(C)CCC2)CC1
InChIInChI=1S/C14H24O/c1-11(15)13-6-4-12(5-7-13)10-14(2)8-3-9-14/h12-13H,3-10H2,1-2H3
InChIKeyNEWNLTYUPHPTLN-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone (CID 130192513) is 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone is CC(=O)C1CCC(CC2(C)CCC2)CC1.
What is the InChIKey of 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone?
The InChIKey is NEWNLTYUPHPTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(15)13-6-4-12(5-7-13)10-14(2)8-3-9-14/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone?
1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone has a molecular weight of 208.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylcyclobutyl)methyl]cyclohexyl]ethanone is sourced from PubChem (CID 130192513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).