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

C33H48OS — CID 140923484

IUPAC6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene
SMILESCCCC1CCC(C2CCC(C3CCC(/C=C/c4cc5ccc(OCC)cc5s4)CC3)CC2)CC1
InChIInChI=1S/C33H48OS/c1-3-5-24-6-11-26(12-7-24)28-15-17-29(18-16-28)27-13-8-25(9-14-27)10-21-32-22-30-19-20-31(34-4-2)23-33(30)35-32/h10,19-29H,3-9,11-18H2,1-2H3/b21-10+
InChIKeyQHNHJSRDNHVCRD-UFFVCSGVSA-N
MW492.81 g/mol
LogP10.53
Rot. Bonds8

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

6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene (PubChem CID 140923484) has the molecular formula C33H48OS and a molecular weight of 492.81 g/mol. Its IUPAC name is 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene.

Molecular Properties

Compound Name6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene
PubChem CID140923484
Molecular FormulaC33H48OS
Molecular Weight492.81 g/mol
Exact Mass492.34
IUPAC Name6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene
SMILESCCCC1CCC(C2CCC(C3CCC(/C=C/c4cc5ccc(OCC)cc5s4)CC3)CC2)CC1
InChIInChI=1S/C33H48OS/c1-3-5-24-6-11-26(12-7-24)28-15-17-29(18-16-28)27-13-8-25(9-14-27)10-21-32-22-30-19-20-31(34-4-2)23-33(30)35-32/h10,19-29H,3-9,11-18H2,1-2H3/b21-10+
InChIKeyQHNHJSRDNHVCRD-UFFVCSGVSA-N
XLogP10.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.81
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene
CID 140923464
1-ethoxy-4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657203
6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene
CID 140923511
6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene
CID 140923390
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene
CID 139863649
1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
CID 54320850
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
6-[4-[(E)-prop-1-enyl]cyclohexyl]-2-(4-propylcyclohexyl)-1-benzothiophene
CID 140923425
2-[difluoro-[4-(4-propylcyclohexen-1-yl)phenyl]methoxy]-6-ethoxy-1-benzothiophene
CID 140923450
1-but-3-enyl-4-(4-propylcyclohexyl)cyclohexane;3-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-7-ethoxy-1,2-difluoronaphthalene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane
CID 160986284
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
1-ethoxy-4-[[4-[4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexyl]methoxy]benzene
CID 54568088

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene?
The IUPAC name of 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene (CID 140923484) is 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene.
What is the SMILES notation for 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene?
The canonical SMILES for 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene is CCCC1CCC(C2CCC(C3CCC(/C=C/c4cc5ccc(OCC)cc5s4)CC3)CC2)CC1.
What is the InChIKey of 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene?
The InChIKey is QHNHJSRDNHVCRD-UFFVCSGVSA-N. The full InChI is InChI=1S/C33H48OS/c1-3-5-24-6-11-26(12-7-24)28-15-17-29(18-16-28)27-13-8-25(9-14-27)10-21-32-22-30-19-20-31(34-4-2)23-33(30)35-32/h10,19-29H,3-9,11-18H2,1-2H3/b21-10+.
What are the key properties of 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene?
6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene has a molecular weight of 492.81 g/mol, XLogP of 10.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene is sourced from PubChem (CID 140923484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).