5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one

C15H28O — CID 91750162

IUPAC5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one
SMILESCC(C)CCCC(C)C1CCC(C)CC1=O
InChIInChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h11-14H,5-10H2,1-4H3
InChIKeyKCRFTEABMBVXDT-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.45
Rot. Bonds5

About 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one

5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one (PubChem CID 91750162) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one
PubChem CID91750162
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one
SMILESCC(C)CCCC(C)C1CCC(C)CC1=O
InChIInChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h11-14H,5-10H2,1-4H3
InChIKeyKCRFTEABMBVXDT-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one?
The IUPAC name of 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one (CID 91750162) is 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one is CC(C)CCCC(C)C1CCC(C)CC1=O.
What is the InChIKey of 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one?
The InChIKey is KCRFTEABMBVXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h11-14H,5-10H2,1-4H3.
What are the key properties of 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one?
5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one has a molecular weight of 224.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methylheptan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 91750162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).