6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene

C34H50S — CID 140923511

IUPAC6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene
SMILESCCCc1ccc2cc(C3CCC(C4CCC(/C=C/C5CCC(CCC)CC5)CC4)CC3)sc2c1
InChIInChI=1S/C34H50S/c1-3-5-25-7-9-26(10-8-25)11-12-27-13-16-29(17-14-27)30-19-21-31(22-20-30)34-24-32-18-15-28(6-4-2)23-33(32)35-34/h11-12,15,18,23-27,29-31H,3-10,13-14,16-17,19-22H2,1-2H3/b12-11+
InChIKeyQLWZAICIHNWLRX-VAWYXSNFSA-N
MW490.84 g/mol
LogP11.10
Rot. Bonds8

About 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene

6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene (PubChem CID 140923511) has the molecular formula C34H50S and a molecular weight of 490.84 g/mol. Its IUPAC name is 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene.

Molecular Properties

Compound Name6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene
PubChem CID140923511
Molecular FormulaC34H50S
Molecular Weight490.84 g/mol
Exact Mass490.36
IUPAC Name6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene
SMILESCCCc1ccc2cc(C3CCC(C4CCC(/C=C/C5CCC(CCC)CC5)CC4)CC3)sc2c1
InChIInChI=1S/C34H50S/c1-3-5-25-7-9-26(10-8-25)11-12-27-13-16-29(17-14-27)30-19-21-31(22-20-30)34-24-32-18-15-28(6-4-2)23-33(32)35-34/h11-12,15,18,23-27,29-31H,3-10,13-14,16-17,19-22H2,1-2H3/b12-11+
InChIKeyQLWZAICIHNWLRX-VAWYXSNFSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.84
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene with MolForge

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Related Compounds

2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene
CID 134408908
6-[4-[(E)-prop-1-enyl]cyclohexyl]-2-(4-propylcyclohexyl)-1-benzothiophene
CID 140923425
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
CID 67943668
6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene
CID 140923484
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
(2-cyclopropyl-1-benzothiophen-6-yl)methanamine
CID 84671842
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
1-fluoro-4-[2-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]benzene
CID 19992676
3,4-difluoro-6-propyl-2-[2-[4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexyl]ethyl]-1-benzothiophene
CID 134408799
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene?
The IUPAC name of 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene (CID 140923511) is 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene.
What is the SMILES notation for 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene?
The canonical SMILES for 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene is CCCc1ccc2cc(C3CCC(C4CCC(/C=C/C5CCC(CCC)CC5)CC4)CC3)sc2c1.
What is the InChIKey of 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene?
The InChIKey is QLWZAICIHNWLRX-VAWYXSNFSA-N. The full InChI is InChI=1S/C34H50S/c1-3-5-25-7-9-26(10-8-25)11-12-27-13-16-29(17-14-27)30-19-21-31(22-20-30)34-24-32-18-15-28(6-4-2)23-33(32)35-34/h11-12,15,18,23-27,29-31H,3-10,13-14,16-17,19-22H2,1-2H3/b12-11+.
What are the key properties of 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene?
6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene has a molecular weight of 490.84 g/mol, XLogP of 11.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene is sourced from PubChem (CID 140923511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).