2-cycloheptyl-7-methylcycloheptan-1-one

C15H26O — CID 154083547

IUPAC2-cycloheptyl-7-methylcycloheptan-1-one
SMILESCC1CCCCC(C2CCCCCC2)C1=O
InChIInChI=1S/C15H26O/c1-12-8-6-7-11-14(15(12)16)13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3
InChIKeyJDXKSKJXSXWVMX-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds1

About 2-cycloheptyl-7-methylcycloheptan-1-one

2-cycloheptyl-7-methylcycloheptan-1-one (PubChem CID 154083547) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-cycloheptyl-7-methylcycloheptan-1-one.

Molecular Properties

Compound Name2-cycloheptyl-7-methylcycloheptan-1-one
PubChem CID154083547
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-cycloheptyl-7-methylcycloheptan-1-one
SMILESCC1CCCCC(C2CCCCCC2)C1=O
InChIInChI=1S/C15H26O/c1-12-8-6-7-11-14(15(12)16)13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3
InChIKeyJDXKSKJXSXWVMX-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 132503865
2,3-dicyclohexylcyclopropan-1-one
CID 11172060
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
3-methylcyclododecane-1,2-dione
CID 12995105
9-methylbicyclo[5.2.0]nonan-8-one
CID 12721699
7-methyl-2,3,4,4a,5,6,7,8,9,10a-decahydro-1H-benzo[8]annulen-10-one
CID 91003548
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
CID 24895078
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 158943908
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3-methyl-2-oxocycloheptane-1-carbonitrile
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CID 124514859

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-7-methylcycloheptan-1-one?
The IUPAC name of 2-cycloheptyl-7-methylcycloheptan-1-one (CID 154083547) is 2-cycloheptyl-7-methylcycloheptan-1-one.
What is the SMILES notation for 2-cycloheptyl-7-methylcycloheptan-1-one?
The canonical SMILES for 2-cycloheptyl-7-methylcycloheptan-1-one is CC1CCCCC(C2CCCCCC2)C1=O.
What is the InChIKey of 2-cycloheptyl-7-methylcycloheptan-1-one?
The InChIKey is JDXKSKJXSXWVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12-8-6-7-11-14(15(12)16)13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3.
What are the key properties of 2-cycloheptyl-7-methylcycloheptan-1-one?
2-cycloheptyl-7-methylcycloheptan-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-7-methylcycloheptan-1-one is sourced from PubChem (CID 154083547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).