1-cycloheptyl-4,4-dimethylpentan-1-one

C14H26O — CID 65399769

IUPAC1-cycloheptyl-4,4-dimethylpentan-1-one
SMILESCC(C)(C)CCC(=O)C1CCCCCC1
InChIInChI=1S/C14H26O/c1-14(2,3)11-10-13(15)12-8-6-4-5-7-9-12/h12H,4-11H2,1-3H3
InChIKeyLHQMKNSJSDFENF-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds3

About 1-cycloheptyl-4,4-dimethylpentan-1-one

1-cycloheptyl-4,4-dimethylpentan-1-one (PubChem CID 65399769) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-cycloheptyl-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-cycloheptyl-4,4-dimethylpentan-1-one
PubChem CID65399769
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-cycloheptyl-4,4-dimethylpentan-1-one
SMILESCC(C)(C)CCC(=O)C1CCCCCC1
InChIInChI=1S/C14H26O/c1-14(2,3)11-10-13(15)12-8-6-4-5-7-9-12/h12H,4-11H2,1-3H3
InChIKeyLHQMKNSJSDFENF-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4,4-dimethylpentan-1-one?
The IUPAC name of 1-cycloheptyl-4,4-dimethylpentan-1-one (CID 65399769) is 1-cycloheptyl-4,4-dimethylpentan-1-one.
What is the SMILES notation for 1-cycloheptyl-4,4-dimethylpentan-1-one?
The canonical SMILES for 1-cycloheptyl-4,4-dimethylpentan-1-one is CC(C)(C)CCC(=O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-4,4-dimethylpentan-1-one?
The InChIKey is LHQMKNSJSDFENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-14(2,3)11-10-13(15)12-8-6-4-5-7-9-12/h12H,4-11H2,1-3H3.
What are the key properties of 1-cycloheptyl-4,4-dimethylpentan-1-one?
1-cycloheptyl-4,4-dimethylpentan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4,4-dimethylpentan-1-one is sourced from PubChem (CID 65399769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).