4,4-dibutylcyclohex-2-en-1-one

C14H24O — CID 14836303

IUPAC4,4-dibutylcyclohex-2-en-1-one
SMILESCCCCC1(CCCC)C=CC(=O)CC1
InChIInChI=1S/C14H24O/c1-3-5-9-14(10-6-4-2)11-7-13(15)8-12-14/h7,11H,3-6,8-10,12H2,1-2H3
InChIKeyNCYFOQJNHKFTEK-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds6

About 4,4-dibutylcyclohex-2-en-1-one

4,4-dibutylcyclohex-2-en-1-one (PubChem CID 14836303) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4,4-dibutylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dibutylcyclohex-2-en-1-one
PubChem CID14836303
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4,4-dibutylcyclohex-2-en-1-one
SMILESCCCCC1(CCCC)C=CC(=O)CC1
InChIInChI=1S/C14H24O/c1-3-5-9-14(10-6-4-2)11-7-13(15)8-12-14/h7,11H,3-6,8-10,12H2,1-2H3
InChIKeyNCYFOQJNHKFTEK-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14395464
3,3-dibutylcyclohexene
CID 174543750
4-propyl-4-(2-trimethylsilylethynyl)cyclohex-2-en-1-one
CID 58388150
4-butyl-4-methoxy-3-methylcyclohex-2-en-1-one
CID 134987218
(4S)-4-hexadecyl-4-hydroxycyclopent-2-en-1-one
CID 101350451
4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
4-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 71303376
5-butylbicyclo[3.2.0]hept-1-ene
CID 163774181
(2S)-2-butyl-2-methylcyclohexan-1-one
CID 10080777
(2S)-2-butyl-2-(hydroxymethyl)cyclobutan-1-one
CID 15156308
6-butyl-1-methyl-2-oxabicyclo[4.1.0]heptan-3-one
CID 15455654
4,4-dicyclopropylcyclohex-2-en-1-one
CID 130029054

Frequently Asked Questions

What is the IUPAC name of 4,4-dibutylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dibutylcyclohex-2-en-1-one (CID 14836303) is 4,4-dibutylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dibutylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dibutylcyclohex-2-en-1-one is CCCCC1(CCCC)C=CC(=O)CC1.
What is the InChIKey of 4,4-dibutylcyclohex-2-en-1-one?
The InChIKey is NCYFOQJNHKFTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-9-14(10-6-4-2)11-7-13(15)8-12-14/h7,11H,3-6,8-10,12H2,1-2H3.
What are the key properties of 4,4-dibutylcyclohex-2-en-1-one?
4,4-dibutylcyclohex-2-en-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibutylcyclohex-2-en-1-one is sourced from PubChem (CID 14836303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).