4-butyl-4-methoxycyclohex-2-en-1-one

C11H18O2 — CID 14764294

IUPAC4-butyl-4-methoxycyclohex-2-en-1-one
SMILESCCCCC1(OC)C=CC(=O)CC1
InChIInChI=1S/C11H18O2/c1-3-4-7-11(13-2)8-5-10(12)6-9-11/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyOCEXNBNUEBIAEA-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds4

About 4-butyl-4-methoxycyclohex-2-en-1-one

4-butyl-4-methoxycyclohex-2-en-1-one (PubChem CID 14764294) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-butyl-4-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-butyl-4-methoxycyclohex-2-en-1-one
PubChem CID14764294
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-butyl-4-methoxycyclohex-2-en-1-one
SMILESCCCCC1(OC)C=CC(=O)CC1
InChIInChI=1S/C11H18O2/c1-3-4-7-11(13-2)8-5-10(12)6-9-11/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyOCEXNBNUEBIAEA-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-Methyl 4-cyclohexyl-4-oxobut-2-enoate
CID 12279310
1-Oxaspiro[4.5]dec-6-en-8-one
CID 13511803
(R)-5-((R)-2-oxoheptan-4-yl)-5-propylfuran-2(5H)-one
CID 86277940
(R)-5-((S)-2-oxoheptan-4-yl)-5-propylfuran-2(5H)-one
CID 86277980
4-Butyl-4-methoxy-2,3-dimethylcyclohexa-2,5-dien-1-one
CID 134875004
4-Butyl-4-methoxy-2-methylcyclohex-2-en-1-one
CID 134922463
4-Butyl-3,4-dimethoxycyclohex-2-en-1-one
CID 134922485
4-Butyl-4-methoxy-2,3-dimethylcyclohex-2-en-1-one
CID 134922555
(4R)-4-methoxy-4-methylcyclohex-2-en-1-one
CID 134968953
4-Butyl-4-methoxy-3-methylcyclohex-2-en-1-one
CID 134987218
5-(1-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)pentanal
CID 135043485
4,4-Dimethoxy-6-pentyl-cyclohex-2-enone
CID 593724

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-methoxycyclohex-2-en-1-one?
The IUPAC name of 4-butyl-4-methoxycyclohex-2-en-1-one (CID 14764294) is 4-butyl-4-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 4-butyl-4-methoxycyclohex-2-en-1-one?
The canonical SMILES for 4-butyl-4-methoxycyclohex-2-en-1-one is CCCCC1(OC)C=CC(=O)CC1.
What is the InChIKey of 4-butyl-4-methoxycyclohex-2-en-1-one?
The InChIKey is OCEXNBNUEBIAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-7-11(13-2)8-5-10(12)6-9-11/h5,8H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4-butyl-4-methoxycyclohex-2-en-1-one?
4-butyl-4-methoxycyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 14764294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).