4-(2-ethylhexyl)cyclohex-3-en-1-one

C14H24O — CID 83261632

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

About 4-(2-ethylhexyl)cyclohex-3-en-1-one

4-(2-ethylhexyl)cyclohex-3-en-1-one (PubChem CID 83261632) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-(2-ethylhexyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(2-ethylhexyl)cyclohex-3-en-1-one
PubChem CID83261632
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-(2-ethylhexyl)cyclohex-3-en-1-one
SMILESCCCCC(CC)CC1=CCC(=O)CC1
InChIInChI=1S/C14H24O/c1-3-5-6-12(4-2)11-13-7-9-14(15)10-8-13/h7,12H,3-6,8-11H2,1-2H3
InChIKeySHPFWCMLSHGFGH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-dodecylcyclohex-3-en-1-one
CID 83262280
1-(cyclohexen-1-yl)-4-ethyloctan-2-ol
CID 116660029
3-(2-ethylhexyl)-2-methylcyclopentan-1-one
CID 64908527
3-(2-methylhexyl)cyclopent-2-en-1-one
CID 21399107
4-(4-hydroxybutyl)cyclohex-3-en-1-one
CID 10241195
1-(2-ethylhexyl)azepan-2-one
CID 15001204
1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560
2-ethyl-N-(2-ethylhexyl)hexan-1-amine;oxolane-2,5-dione
CID 88527412
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
1-(2-methylheptyl)cyclopropene
CID 22621699
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
4-(4,4,4-trifluorobutyl)cyclohex-3-en-1-one
CID 83261111

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexyl)cyclohex-3-en-1-one?
The IUPAC name of 4-(2-ethylhexyl)cyclohex-3-en-1-one (CID 83261632) is 4-(2-ethylhexyl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(2-ethylhexyl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(2-ethylhexyl)cyclohex-3-en-1-one is CCCCC(CC)CC1=CCC(=O)CC1.
What is the InChIKey of 4-(2-ethylhexyl)cyclohex-3-en-1-one?
The InChIKey is SHPFWCMLSHGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-6-12(4-2)11-13-7-9-14(15)10-8-13/h7,12H,3-6,8-11H2,1-2H3.
What are the key properties of 4-(2-ethylhexyl)cyclohex-3-en-1-one?
4-(2-ethylhexyl)cyclohex-3-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-(2-ethylhexyl)cyclohex-3-en-1-one is sourced from PubChem (CID 83261632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).