2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one

C14H26O — CID 12627284

IUPAC2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one
SMILESCCCCC1C(=O)C(C)CCC1C(C)C
InChIInChI=1S/C14H26O/c1-5-6-7-13-12(10(2)3)9-8-11(4)14(13)15/h10-13H,5-9H2,1-4H3
InChIKeySKBXKLTWJLEIHI-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds4

About 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one

2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one (PubChem CID 12627284) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one
PubChem CID12627284
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one
SMILESCCCCC1C(=O)C(C)CCC1C(C)C
InChIInChI=1S/C14H26O/c1-5-6-7-13-12(10(2)3)9-8-11(4)14(13)15/h10-13H,5-9H2,1-4H3
InChIKeySKBXKLTWJLEIHI-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S,6S)-2-(hydroxymethyl)-6-methyl-3-propan-2-ylcyclohexan-1-one
CID 7054201
2-(2-butyl-3-oxocyclopentyl)propanoic acid
CID 154943990
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2-butyl-4-oxocyclopentyl)acetate
CID 123391646
2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
CID 123619623
(2R,3S,6S)-3-butyl-2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 101171000
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
[(2R,3R,4R)-4-butyl-2-methyl-5-oxooxolan-3-yl] 3-methylbutanoate
CID 10801075
4-propan-2-yl-5-propyloxolan-2-one
CID 86109593
1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303
ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate
CID 22797030
tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 71403532
butane;1-cyclopropyl-2-propan-2-ylcyclopropane;ethane;pentane
CID 143376403

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one (CID 12627284) is 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one is CCCCC1C(=O)C(C)CCC1C(C)C.
What is the InChIKey of 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one?
The InChIKey is SKBXKLTWJLEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-7-13-12(10(2)3)9-8-11(4)14(13)15/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one?
2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methyl-3-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 12627284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).