3-(3,5-dimethylcyclohexyl)cycloheptan-1-one

C15H26O — CID 64729151

IUPAC3-(3,5-dimethylcyclohexyl)cycloheptan-1-one
SMILESCC1CC(C)CC(C2CCCCC(=O)C2)C1
InChIInChI=1S/C15H26O/c1-11-7-12(2)9-14(8-11)13-5-3-4-6-15(16)10-13/h11-14H,3-10H2,1-2H3
InChIKeyHZEBTCAUBJFDKZ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.21
Rot. Bonds1

About 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one

3-(3,5-dimethylcyclohexyl)cycloheptan-1-one (PubChem CID 64729151) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)cycloheptan-1-one
PubChem CID64729151
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-(3,5-dimethylcyclohexyl)cycloheptan-1-one
SMILESCC1CC(C)CC(C2CCCCC(=O)C2)C1
InChIInChI=1S/C15H26O/c1-11-7-12(2)9-14(8-11)13-5-3-4-6-15(16)10-13/h11-14H,3-10H2,1-2H3
InChIKeyHZEBTCAUBJFDKZ-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one (CID 64729151) is 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one is CC1CC(C)CC(C2CCCCC(=O)C2)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one?
The InChIKey is HZEBTCAUBJFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-12(2)9-14(8-11)13-5-3-4-6-15(16)10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one?
3-(3,5-dimethylcyclohexyl)cycloheptan-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)cycloheptan-1-one is sourced from PubChem (CID 64729151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).