1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene

C46H66O — CID 139803705

IUPAC1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
SMILESCCCC1CCC(c2ccc(C3CC=C(CCOCCC4=CCC(c5ccc(C6CCC(CCC)CC6)cc5)CC4)CC3)cc2)CC1
InChIInChI=1S/C46H66O/c1-3-5-35-7-15-39(16-8-35)43-23-27-45(28-24-43)41-19-11-37(12-20-41)31-33-47-34-32-38-13-21-42(22-14-38)46-29-25-44(26-30-46)40-17-9-36(6-4-2)10-18-40/h11,13,23-30,35-36,39-42H,3-10,12,14-22,31-34H2,1-2H3
InChIKeyWAYZPQWJROMBHW-UHFFFAOYSA-N
MW635.03 g/mol
LogP13.72
Rot. Bonds14

About 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene

1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene (PubChem CID 139803705) has the molecular formula C46H66O and a molecular weight of 635.03 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
PubChem CID139803705
Molecular FormulaC46H66O
Molecular Weight635.03 g/mol
Exact Mass634.51
IUPAC Name1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
SMILESCCCC1CCC(c2ccc(C3CC=C(CCOCCC4=CCC(c5ccc(C6CCC(CCC)CC6)cc5)CC4)CC3)cc2)CC1
InChIInChI=1S/C46H66O/c1-3-5-35-7-15-39(16-8-35)43-23-27-45(28-24-43)41-19-11-37(12-20-41)31-33-47-34-32-38-13-21-42(22-14-38)46-29-25-44(26-30-46)40-17-9-36(6-4-2)10-18-40/h11,13,23-30,35-36,39-42H,3-10,12,14-22,31-34H2,1-2H3
InChIKeyWAYZPQWJROMBHW-UHFFFAOYSA-N
XLogP13.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.03
LogP ≤ 513.72
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'}

Analyze 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene with MolForge

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Related Compounds

1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803818
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]phenyl]benzene
CID 139803625
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene
CID 139803649
1-(3-methylidenepentyl)-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohex-3-en-1-yl]benzene
CID 22131658
4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803689
methyl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986650
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
propan-2-yl 4-[4-(4-propylcyclohexyl)phenyl]cyclohexene-1-carboxylate
CID 19986835
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
(4-propylcyclohexyl)benzene
CID 155887669
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
The IUPAC name of 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene (CID 139803705) is 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene.
What is the SMILES notation for 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
The canonical SMILES for 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene is CCCC1CCC(c2ccc(C3CC=C(CCOCCC4=CCC(c5ccc(C6CCC(CCC)CC6)cc5)CC4)CC3)cc2)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
The InChIKey is WAYZPQWJROMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H66O/c1-3-5-35-7-15-39(16-8-35)43-23-27-45(28-24-43)41-19-11-37(12-20-41)31-33-47-34-32-38-13-21-42(22-14-38)46-29-25-44(26-30-46)40-17-9-36(6-4-2)10-18-40/h11,13,23-30,35-36,39-42H,3-10,12,14-22,31-34H2,1-2H3.
What are the key properties of 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene has a molecular weight of 635.03 g/mol, XLogP of 13.72, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene is sourced from PubChem (CID 139803705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).