1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one

C17H30O — CID 59143511

IUPAC1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
SMILESCC1CC1CC(CCC1CC1)C(=O)CC(C)(C)C
InChIInChI=1S/C17H30O/c1-12-9-15(12)10-14(8-7-13-5-6-13)16(18)11-17(2,3)4/h12-15H,5-11H2,1-4H3
InChIKeyZKZOCVFUUUFPKN-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.84
Rot. Bonds7

About 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one

1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one (PubChem CID 59143511) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one.

Molecular Properties

Compound Name1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
PubChem CID59143511
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
SMILESCC1CC1CC(CCC1CC1)C(=O)CC(C)(C)C
InChIInChI=1S/C17H30O/c1-12-9-15(12)10-14(8-7-13-5-6-13)16(18)11-17(2,3)4/h12-15H,5-11H2,1-4H3
InChIKeyZKZOCVFUUUFPKN-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
The IUPAC name of 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one (CID 59143511) is 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one.
What is the SMILES notation for 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
The canonical SMILES for 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one is CC1CC1CC(CCC1CC1)C(=O)CC(C)(C)C.
What is the InChIKey of 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
The InChIKey is ZKZOCVFUUUFPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-12-9-15(12)10-14(8-7-13-5-6-13)16(18)11-17(2,3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one?
1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one has a molecular weight of 250.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one is sourced from PubChem (CID 59143511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).