1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene

C46H66O — CID 139803649

IUPAC1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]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/h7-11,13,15-18,41-46H,3-6,12,14,19-34H2,1-2H3
InChIKeyKJNDEYRCISZSOT-UHFFFAOYSA-N
MW635.03 g/mol
LogP13.09
Rot. Bonds14

About 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene

1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene (PubChem CID 139803649) has the molecular formula C46H66O and a molecular weight of 635.03 g/mol. Its IUPAC name is 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene
PubChem CID139803649
Molecular FormulaC46H66O
Molecular Weight635.03 g/mol
Exact Mass634.51
IUPAC Name1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]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/h7-11,13,15-18,41-46H,3-6,12,14,19-34H2,1-2H3
InChIKeyKJNDEYRCISZSOT-UHFFFAOYSA-N
XLogP13.09
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 ≤ 513.09
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-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene 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-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-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
CID 19436175
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
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-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-butoxy-4-[2-[4-(4-propylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988281
1-butoxy-4-[2-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 19988235
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene?
The IUPAC name of 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) is 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene.
What is the SMILES notation for 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene?
The canonical SMILES for 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene is CCCc1ccc(C2CCC(C3CC=C(CCOCCC4=CCC(C5CCC(c6ccc(CCC)cc6)CC5)CC4)CC3)CC2)cc1.
What is the InChIKey of 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene?
The InChIKey is KJNDEYRCISZSOT-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/h7-11,13,15-18,41-46H,3-6,12,14,19-34H2,1-2H3.
What are the key properties of 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene?
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene has a molecular weight of 635.03 g/mol, XLogP of 13.09, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene is sourced from PubChem (CID 139803649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).