3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one

C15H28O — CID 65424663

IUPAC3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
SMILESCCC(C)CC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H28O/c1-5-12(4)10-15(16)14-8-6-13(7-9-14)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBBSFHDRBKQVJJN-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.45
Rot. Bonds5

About 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one

3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one (PubChem CID 65424663) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
PubChem CID65424663
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
SMILESCCC(C)CC(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C15H28O/c1-5-12(4)10-15(16)14-8-6-13(7-9-14)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBBSFHDRBKQVJJN-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminocyclohexyl)-3-methylpentan-1-one
CID 116557256
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
2-chloro-1-(4-propan-2-ylcyclohexyl)ethanone
CID 13192855
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-one
CID 105091653
1-cyclopropyl-1-hydroxy-4-methylhexan-2-one
CID 103455899
6-(3-methylpentanoyl)thiocan-4-one
CID 59516737
1-cyclopropyl-2-(2-methylbutylsulfanyl)ethanone
CID 107752722
3-amino-1,3-dicyclopropylpropan-1-one
CID 116608894
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one?
The IUPAC name of 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one (CID 65424663) is 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one is CCC(C)CC(=O)C1CCC(C(C)C)CC1.
What is the InChIKey of 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one?
The InChIKey is BBSFHDRBKQVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-12(4)10-15(16)14-8-6-13(7-9-14)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one?
3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one has a molecular weight of 224.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one is sourced from PubChem (CID 65424663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).