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

Related Compounds

2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one
CID 59143597
5-(2-cyclopropylethyl)-2,2,7,7-tetramethyloctan-4-one
CID 59143481
2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]oct-7-en-4-one
CID 59143593
1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143680
2-(cyclobutylmethyl)-4-cyclopropyl-N-propan-2-ylbutanamide;4-cyclopropyl-2-(cyclopropylmethyl)-N-propan-2-ylbutanamide;2-(2-cyclopropylethyl)-3,3-dimethyl-N-propan-2-ylbutanamide;2-(2-cyclopropylethyl)-4,4-dimethyl-N-propan-2-ylpentanamide;2-(2-cyclopropylethyl)-3-methyl-N-propan-2-ylbutanamide;4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylbutanamide
CID 159272371
3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
CID 59143537
N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide
CID 20790184
5-(cyclopentylmethyl)-2,2-dimethyloct-7-en-4-one
CID 59143638
2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
CID 70910476
1-cyclopropyl-5,5-dimethyl-2-propoxyhexan-3-one
CID 59143645
2-(cyclopentylmethoxy)-1-cyclopropyl-5,5-dimethylhexan-3-one
CID 59143519
1-cyclopropyl-4,4-dimethylpentan-2-one
CID 58286843

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).