3-oct-5-enoxypropylcyclohexane

C17H32O — CID 57218622

IUPAC3-oct-5-enoxypropylcyclohexane
SMILESCCC=CCCCCOCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-10-15-18-16-11-14-17-12-8-7-9-13-17/h3-4,17H,2,5-16H2,1H3
InChIKeyITEDBBRAUMONOP-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.50
Rot. Bonds10

About 3-oct-5-enoxypropylcyclohexane

3-oct-5-enoxypropylcyclohexane (PubChem CID 57218622) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 3-oct-5-enoxypropylcyclohexane.

Molecular Properties

Compound Name3-oct-5-enoxypropylcyclohexane
PubChem CID57218622
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name3-oct-5-enoxypropylcyclohexane
SMILESCCC=CCCCCOCCCC1CCCCC1
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-10-15-18-16-11-14-17-12-8-7-9-13-17/h3-4,17H,2,5-16H2,1H3
InChIKeyITEDBBRAUMONOP-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.50
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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Related Compounds

4-hept-5-enoxybutylcyclohexane
CID 57300842
(E)-18-ethoxyoctadec-3-ene
CID 6437683
[(E)-non-7-enyl]cyclohexane
CID 142802500
(Z)-7-ethoxyhept-3-ene
CID 89382132
4-[4-(3-hept-4-enoxypropyl)cyclohexyl]benzonitrile
CID 54041694
2-[4-[(E)-hex-3-enoxy]butyl]oxirane
CID 22768288
4-[4-[2-[(E)-oct-5-enoxy]ethyl]cyclohexyl]benzonitrile
CID 19768969
(3Z,6Z,9Z,12Z,15Z)-21-ethoxyhenicosa-3,6,9,12,15-pentaene
CID 89100561
3-[(E)-hexadec-13-enoxy]propanenitrile
CID 101282723
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane
CID 54311506

Frequently Asked Questions

What is the IUPAC name of 3-oct-5-enoxypropylcyclohexane?
The IUPAC name of 3-oct-5-enoxypropylcyclohexane (CID 57218622) is 3-oct-5-enoxypropylcyclohexane.
What is the SMILES notation for 3-oct-5-enoxypropylcyclohexane?
The canonical SMILES for 3-oct-5-enoxypropylcyclohexane is CCC=CCCCCOCCCC1CCCCC1.
What is the InChIKey of 3-oct-5-enoxypropylcyclohexane?
The InChIKey is ITEDBBRAUMONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-6-10-15-18-16-11-14-17-12-8-7-9-13-17/h3-4,17H,2,5-16H2,1H3.
What are the key properties of 3-oct-5-enoxypropylcyclohexane?
3-oct-5-enoxypropylcyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-5-enoxypropylcyclohexane is sourced from PubChem (CID 57218622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).