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

C26H44O — CID 76840289

IUPAC2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
SMILESC=CC1CCC(C=CC2CCC(C3CCC(CCCCC)CC3)CO2)CC1
InChIInChI=1S/C26H44O/c1-3-5-6-7-22-12-15-24(16-13-22)25-17-19-26(27-20-25)18-14-23-10-8-21(4-2)9-11-23/h4,14,18,21-26H,2-3,5-13,15-17,19-20H2,1H3
InChIKeyCSDCPZWNUPHORV-UHFFFAOYSA-N
MW372.64 g/mol
LogP7.72
Rot. Bonds8

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

2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane (PubChem CID 76840289) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane.

Molecular Properties

Compound Name2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
PubChem CID76840289
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane
SMILESC=CC1CCC(C=CC2CCC(C3CCC(CCCCC)CC3)CO2)CC1
InChIInChI=1S/C26H44O/c1-3-5-6-7-22-12-15-24(16-13-22)25-17-19-26(27-20-25)18-14-23-10-8-21(4-2)9-11-23/h4,14,18,21-26H,2-3,5-13,15-17,19-20H2,1H3
InChIKeyCSDCPZWNUPHORV-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

5-(4-ethenylcyclohexyl)-2-[2-(4-propylcyclohexyl)ethenyl]oxane
CID 76840318
2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840292
2-ethenyl-5-[4-(4-pentylcyclohexyl)cyclohexyl]oxane
CID 58620646
2-ethenyl-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840317
5-(oxiran-2-yl)-2-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 89008539
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 142281934
5-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxane
CID 123480399
1-[(E)-but-1-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-1-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-ethenylcyclohexyl)cyclohexane;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-pentyl-4-(4-propylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 158553427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane?
The IUPAC name of 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane (CID 76840289) is 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane.
What is the SMILES notation for 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane?
The canonical SMILES for 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane is C=CC1CCC(C=CC2CCC(C3CCC(CCCCC)CC3)CO2)CC1.
What is the InChIKey of 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane?
The InChIKey is CSDCPZWNUPHORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O/c1-3-5-6-7-22-12-15-24(16-13-22)25-17-19-26(27-20-25)18-14-23-10-8-21(4-2)9-11-23/h4,14,18,21-26H,2-3,5-13,15-17,19-20H2,1H3.
What are the key properties of 2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane?
2-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)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-[2-(4-ethenylcyclohexyl)ethenyl]-5-(4-pentylcyclohexyl)oxane is sourced from PubChem (CID 76840289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).