2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one

C14H26O — CID 58210371

IUPAC2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
SMILESCC(C)CC1(C(=O)C(C)C)CCCCC1
InChIInChI=1S/C14H26O/c1-11(2)10-14(13(15)12(3)4)8-6-5-7-9-14/h11-12H,5-10H2,1-4H3
InChIKeyFWUBAKCRZUHFFU-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds4

About 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one

2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one (PubChem CID 58210371) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
PubChem CID58210371
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one
SMILESCC(C)CC1(C(=O)C(C)C)CCCCC1
InChIInChI=1S/C14H26O/c1-11(2)10-14(13(15)12(3)4)8-6-5-7-9-14/h11-12H,5-10H2,1-4H3
InChIKeyFWUBAKCRZUHFFU-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113376732
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
N-(2-bromo-4-methylpentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107157722
2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114967627
N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114390037
(2R)-4-methyl-2-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 119363910
(2S)-2-hydroxy-3-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]propanoic acid
CID 107833146
N-[2-methyl-3-(methylamino)propyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81479281
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
1-[1-(2-methylpropyl)cyclopentyl]pent-3-yn-1-one
CID 114964885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one (CID 58210371) is 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one is CC(C)CC1(C(=O)C(C)C)CCCCC1.
What is the InChIKey of 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one?
The InChIKey is FWUBAKCRZUHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)10-14(13(15)12(3)4)8-6-5-7-9-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one?
2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylpropyl)cyclohexyl]propan-1-one is sourced from PubChem (CID 58210371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).