2-(4-ethenylcyclohexyl)-5-pentyloxane

C18H32O — CID 58620680

IUPAC2-(4-ethenylcyclohexyl)-5-pentyloxane
SMILESC=CC1CCC(C2CCC(CCCCC)CO2)CC1
InChIInChI=1S/C18H32O/c1-3-5-6-7-16-10-13-18(19-14-16)17-11-8-15(4-2)9-12-17/h4,15-18H,2-3,5-14H2,1H3
InChIKeyYVVASVPTVLSXNS-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.35
Rot. Bonds6

About 2-(4-ethenylcyclohexyl)-5-pentyloxane

2-(4-ethenylcyclohexyl)-5-pentyloxane (PubChem CID 58620680) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)-5-pentyloxane.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)-5-pentyloxane
PubChem CID58620680
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-(4-ethenylcyclohexyl)-5-pentyloxane
SMILESC=CC1CCC(C2CCC(CCCCC)CO2)CC1
InChIInChI=1S/C18H32O/c1-3-5-6-7-16-10-13-18(19-14-16)17-11-8-15(4-2)9-12-17/h4,15-18H,2-3,5-14H2,1H3
InChIKeyYVVASVPTVLSXNS-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-(4-ethenylcyclohexyl)-5-pentyloxane?
The IUPAC name of 2-(4-ethenylcyclohexyl)-5-pentyloxane (CID 58620680) is 2-(4-ethenylcyclohexyl)-5-pentyloxane.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)-5-pentyloxane?
The canonical SMILES for 2-(4-ethenylcyclohexyl)-5-pentyloxane is C=CC1CCC(C2CCC(CCCCC)CO2)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)-5-pentyloxane?
The InChIKey is YVVASVPTVLSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-3-5-6-7-16-10-13-18(19-14-16)17-11-8-15(4-2)9-12-17/h4,15-18H,2-3,5-14H2,1H3.
What are the key properties of 2-(4-ethenylcyclohexyl)-5-pentyloxane?
2-(4-ethenylcyclohexyl)-5-pentyloxane 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-(4-ethenylcyclohexyl)-5-pentyloxane is sourced from PubChem (CID 58620680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).