2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane

C26H44O — CID 76840292

IUPAC2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
SMILESC=CC1CCC(C=CC2CCC(C3CCC(CCCCC)CC3)CC2)CO1
InChIInChI=1S/C26H44O/c1-3-5-6-7-21-10-15-24(16-11-21)25-17-12-22(13-18-25)8-9-23-14-19-26(4-2)27-20-23/h4,8-9,21-26H,2-3,5-7,10-20H2,1H3
InChIKeyHNDCPEIRHCLCSM-UHFFFAOYSA-N
MW372.64 g/mol
LogP7.72
Rot. Bonds8

About 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane

2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane (PubChem CID 76840292) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane.

Molecular Properties

Compound Name2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
PubChem CID76840292
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
SMILESC=CC1CCC(C=CC2CCC(C3CCC(CCCCC)CC3)CC2)CO1
InChIInChI=1S/C26H44O/c1-3-5-6-7-21-10-15-24(16-11-21)25-17-12-22(13-18-25)8-9-23-14-19-26(4-2)27-20-23/h4,8-9,21-26H,2-3,5-7,10-20H2,1H3
InChIKeyHNDCPEIRHCLCSM-UHFFFAOYSA-N
XLogP7.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 57.72
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

2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840317
2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
CID 58620646
2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
CID 76840289
5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 142281934
5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 89008539
2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane
CID 58620652
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane?
The IUPAC name of 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane (CID 76840292) is 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane.
What is the SMILES notation for 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane?
The canonical SMILES for 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane is C=CC1CCC(C=CC2CCC(C3CCC(CCCCC)CC3)CC2)CO1.
What is the InChIKey of 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane?
The InChIKey is HNDCPEIRHCLCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O/c1-3-5-6-7-21-10-15-24(16-11-21)25-17-12-22(13-18-25)8-9-23-14-19-26(4-2)27-20-23/h4,8-9,21-26H,2-3,5-7,10-20H2,1H3.
What are the key properties of 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane?
2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane has a molecular weight of 372.64 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane is sourced from PubChem (CID 76840292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).