3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one

C13H24O — CID 169289970

IUPAC3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one
SMILESCC(C)CCC1(C(=O)CC(C)C)CC1
InChIInChI=1S/C13H24O/c1-10(2)5-6-13(7-8-13)12(14)9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyQOHMNBGFPJYYTH-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds6

About 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one

3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one (PubChem CID 169289970) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one
PubChem CID169289970
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one
SMILESCC(C)CCC1(C(=O)CC(C)C)CC1
InChIInChI=1S/C13H24O/c1-10(2)5-6-13(7-8-13)12(14)9-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyQOHMNBGFPJYYTH-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-methylbutyl)cycloheptyl]prop-2-enoic acid
CID 141276090
1-(3-methylbutyl)cyclobutan-1-ol
CID 59815736
3-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-one
CID 79058169
1-(3-methylbutanoyl)cyclopropane-1-carbonitrile
CID 116920785
1-(1-fluorocyclobutyl)-3-methylbutan-1-one;1-(1-fluorocyclopropyl)-3-methylbutan-1-one
CID 158947241
1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one
CID 159589703
1-(1-ethoxy-4-methylcyclohexyl)-3-methylbutan-1-one
CID 116749440
1-[1-(3-methylbutyl)cyclopropyl]ethanol
CID 106798094
3-methylbutyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
CID 176870184
N-methyl-1-(6-methylheptyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 156566670
4-methyl-1-(1-methylcyclopentyl)pentan-1-one
CID 114966745
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one?
The IUPAC name of 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one (CID 169289970) is 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one?
The canonical SMILES for 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one is CC(C)CCC1(C(=O)CC(C)C)CC1.
What is the InChIKey of 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one?
The InChIKey is QOHMNBGFPJYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)5-6-13(7-8-13)12(14)9-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one?
3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one has a molecular weight of 196.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(3-methylbutyl)cyclopropyl]butan-1-one is sourced from PubChem (CID 169289970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).