3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one

C16H28O — CID 59143537

IUPAC3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
SMILESCC(C)CC(=O)C(CCC1CC1)CC1CCC1
InChIInChI=1S/C16H28O/c1-12(2)10-16(17)15(9-8-13-6-7-13)11-14-4-3-5-14/h12-15H,3-11H2,1-2H3
InChIKeyYBIQANNLAAWOPC-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds8

About 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one

3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one (PubChem CID 59143537) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
PubChem CID59143537
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
SMILESCC(C)CC(=O)C(CCC1CC1)CC1CCC1
InChIInChI=1S/C16H28O/c1-12(2)10-16(17)15(9-8-13-6-7-13)11-14-4-3-5-14/h12-15H,3-11H2,1-2H3
InChIKeyYBIQANNLAAWOPC-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-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

1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143680
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
CID 59143609
2-(cyclobutylmethyl)-4-cyclopentyl-N-propan-2-ylbutanamide
CID 21366288
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489
(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one
CID 59143625
3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
1-ethyl-4-(3-methylbutyl)cycloheptane
CID 123171853
1-[5-(3-methylbutyl)cyclononyl]prop-2-en-1-one
CID 91599650
5-(2-cyclopropylethyl)-2,2,7,7-tetramethyloctan-4-one
CID 59143481
1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143511
1-cyclopentyl-5-methyl-2-prop-2-enoxyhexan-3-one
CID 59143577

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one (CID 59143537) is 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one is CC(C)CC(=O)C(CCC1CC1)CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one?
The InChIKey is YBIQANNLAAWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-12(2)10-16(17)15(9-8-13-6-7-13)11-14-4-3-5-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one?
3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one has a molecular weight of 236.40 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one is sourced from PubChem (CID 59143537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).