2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane

C26H38O — CID 58620652

IUPAC2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane
SMILESC=CC1CCC(/C=C/C2CCC(c3ccc(CCCCC)cc3)CC2)CO1
InChIInChI=1S/C26H38O/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/h4,8-11,15-16,22-23,25-26H,2-3,5-7,12-14,17-20H2,1H3/b9-8+
InChIKeyMZJLPZBROCPWST-CMDGGOBGSA-N
MW366.59 g/mol
LogP7.23
Rot. Bonds8

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

2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane (PubChem CID 58620652) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane.

Molecular Properties

Compound Name2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane
PubChem CID58620652
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane
SMILESC=CC1CCC(/C=C/C2CCC(c3ccc(CCCCC)cc3)CC2)CO1
InChIInChI=1S/C26H38O/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/h4,8-11,15-16,22-23,25-26H,2-3,5-7,12-14,17-20H2,1H3/b9-8+
InChIKeyMZJLPZBROCPWST-CMDGGOBGSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.23
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'}

Analyze 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile
CID 54552630
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
methyl 4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 54439992
1-pentyl-4-[4-[4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]benzene
CID 54053960
2-ethenyl-5-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]oxane
CID 76840292
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
3-[4-[hydroxy-[4-(4-pentylphenyl)cyclohexyl]methyl]cyclohexyl]prop-2-enenitrile
CID 57211449
4-[4-(4-octylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 19979856

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane?
The IUPAC name of 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane (CID 58620652) is 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane.
What is the SMILES notation for 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane?
The canonical SMILES for 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane is C=CC1CCC(/C=C/C2CCC(c3ccc(CCCCC)cc3)CC2)CO1.
What is the InChIKey of 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane?
The InChIKey is MZJLPZBROCPWST-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H38O/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/h4,8-11,15-16,22-23,25-26H,2-3,5-7,12-14,17-20H2,1H3/b9-8+.
What are the key properties of 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane?
2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane has a molecular weight of 366.59 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[(E)-2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]oxane is sourced from PubChem (CID 58620652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).