5-(cyclopropylmethyl)-2-methyloctan-4-one

C13H24O — CID 59143682

IUPAC5-(cyclopropylmethyl)-2-methyloctan-4-one
SMILESCCCC(CC1CC1)C(=O)CC(C)C
InChIInChI=1S/C13H24O/c1-4-5-12(9-11-6-7-11)13(14)8-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyJYPUDFGHUTVVPK-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds7

About 5-(cyclopropylmethyl)-2-methyloctan-4-one

5-(cyclopropylmethyl)-2-methyloctan-4-one (PubChem CID 59143682) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-methyloctan-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-methyloctan-4-one
PubChem CID59143682
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name5-(cyclopropylmethyl)-2-methyloctan-4-one
SMILESCCCC(CC1CC1)C(=O)CC(C)C
InChIInChI=1S/C13H24O/c1-4-5-12(9-11-6-7-11)13(14)8-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyJYPUDFGHUTVVPK-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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

3-(cyclobutylmethyl)-1-cyclopropyl-6-methylheptan-4-one
CID 59143537
(E)-5-(cyclopropylmethyl)-2-methylnon-7-en-4-one
CID 59143625
2,5-dimethyloctan-4-one
CID 88817499
5-(cyclopentylmethyl)-2-methyloct-7-en-4-one
CID 59143489
1-cyclopropyl-4-propylheptan-3-one
CID 114978233
1-(oxan-4-yl)-3-propylhexan-2-one
CID 114969192
1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143680
3-methyl-1-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 153444618
3-ethyl-1-(oxan-4-yl)hexan-2-one
CID 123425617
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925
2-prop-1-en-2-ylpentylcyclobutane
CID 123471153
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
CID 59143609

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-methyloctan-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-methyloctan-4-one (CID 59143682) is 5-(cyclopropylmethyl)-2-methyloctan-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-methyloctan-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-methyloctan-4-one is CCCC(CC1CC1)C(=O)CC(C)C.
What is the InChIKey of 5-(cyclopropylmethyl)-2-methyloctan-4-one?
The InChIKey is JYPUDFGHUTVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-5-12(9-11-6-7-11)13(14)8-10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-(cyclopropylmethyl)-2-methyloctan-4-one?
5-(cyclopropylmethyl)-2-methyloctan-4-one has a molecular weight of 196.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-methyloctan-4-one is sourced from PubChem (CID 59143682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).