1-(4-ethylcyclohexyl)hex-5-en-1-one

C14H24O — CID 65393301

IUPAC1-(4-ethylcyclohexyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1CCC(CC)CC1
InChIInChI=1S/C14H24O/c1-3-5-6-7-14(15)13-10-8-12(4-2)9-11-13/h3,12-13H,1,4-11H2,2H3
InChIKeyUMVFMOGNCFSEJE-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-ethylcyclohexyl)hex-5-en-1-one

1-(4-ethylcyclohexyl)hex-5-en-1-one (PubChem CID 65393301) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)hex-5-en-1-one
PubChem CID65393301
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(4-ethylcyclohexyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1CCC(CC)CC1
InChIInChI=1S/C14H24O/c1-3-5-6-7-14(15)13-10-8-12(4-2)9-11-13/h3,12-13H,1,4-11H2,2H3
InChIKeyUMVFMOGNCFSEJE-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)hex-5-en-1-one?
The IUPAC name of 1-(4-ethylcyclohexyl)hex-5-en-1-one (CID 65393301) is 1-(4-ethylcyclohexyl)hex-5-en-1-one.
What is the SMILES notation for 1-(4-ethylcyclohexyl)hex-5-en-1-one?
The canonical SMILES for 1-(4-ethylcyclohexyl)hex-5-en-1-one is C=CCCCC(=O)C1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)hex-5-en-1-one?
The InChIKey is UMVFMOGNCFSEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-5-6-7-14(15)13-10-8-12(4-2)9-11-13/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 1-(4-ethylcyclohexyl)hex-5-en-1-one?
1-(4-ethylcyclohexyl)hex-5-en-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)hex-5-en-1-one is sourced from PubChem (CID 65393301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).