2-ethenyl-5-(4-pentylcyclohexyl)oxane

C18H32O — CID 58620417

IUPAC2-ethenyl-5-(4-pentylcyclohexyl)oxane
SMILESC=CC1CCC(C2CCC(CCCCC)CC2)CO1
InChIInChI=1S/C18H32O/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(4-2)19-14-17/h4,15-18H,2-3,5-14H2,1H3
InChIKeyRBSMGLCOSONUIZ-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.35
Rot. Bonds6

About 2-ethenyl-5-(4-pentylcyclohexyl)oxane

2-ethenyl-5-(4-pentylcyclohexyl)oxane (PubChem CID 58620417) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-ethenyl-5-(4-pentylcyclohexyl)oxane.

Molecular Properties

Compound Name2-ethenyl-5-(4-pentylcyclohexyl)oxane
PubChem CID58620417
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-ethenyl-5-(4-pentylcyclohexyl)oxane
SMILESC=CC1CCC(C2CCC(CCCCC)CC2)CO1
InChIInChI=1S/C18H32O/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(4-2)19-14-17/h4,15-18H,2-3,5-14H2,1H3
InChIKeyRBSMGLCOSONUIZ-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.35
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 2-ethenyl-5-(4-pentylcyclohexyl)oxane?
The IUPAC name of 2-ethenyl-5-(4-pentylcyclohexyl)oxane (CID 58620417) is 2-ethenyl-5-(4-pentylcyclohexyl)oxane.
What is the SMILES notation for 2-ethenyl-5-(4-pentylcyclohexyl)oxane?
The canonical SMILES for 2-ethenyl-5-(4-pentylcyclohexyl)oxane is C=CC1CCC(C2CCC(CCCCC)CC2)CO1.
What is the InChIKey of 2-ethenyl-5-(4-pentylcyclohexyl)oxane?
The InChIKey is RBSMGLCOSONUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(4-2)19-14-17/h4,15-18H,2-3,5-14H2,1H3.
What are the key properties of 2-ethenyl-5-(4-pentylcyclohexyl)oxane?
2-ethenyl-5-(4-pentylcyclohexyl)oxane has a molecular weight of 264.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(4-pentylcyclohexyl)oxane is sourced from PubChem (CID 58620417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).