1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene

C36H50 — CID 173416619

IUPAC1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene
SMILESC=CCC1CCC(C2CC=C(c3ccc(C4=CCC(C5CCC(CC=C)CC5)CC4)cc3)CC2)CC1
InChIInChI=1S/C36H50/c1-3-5-27-7-11-29(12-8-27)31-15-19-33(20-16-31)35-23-25-36(26-24-35)34-21-17-32(18-22-34)30-13-9-28(6-4-2)10-14-30/h3-4,19,21,23-32H,1-2,5-18,20,22H2
InChIKeyWBFIDCVUOSOUIG-UHFFFAOYSA-N
MW482.80 g/mol
LogP10.82
Rot. Bonds8

About 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene

1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 173416619) has the molecular formula C36H50 and a molecular weight of 482.80 g/mol. Its IUPAC name is 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID173416619
Molecular FormulaC36H50
Molecular Weight482.80 g/mol
Exact Mass482.39
IUPAC Name1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene
SMILESC=CCC1CCC(C2CC=C(c3ccc(C4=CCC(C5CCC(CC=C)CC5)CC4)cc3)CC2)CC1
InChIInChI=1S/C36H50/c1-3-5-27-7-11-29(12-8-27)31-15-19-33(20-16-31)35-23-25-36(26-24-35)34-21-17-32(18-22-34)30-13-9-28(6-4-2)10-14-30/h3-4,19,21,23-32H,1-2,5-18,20,22H2
InChIKeyWBFIDCVUOSOUIG-UHFFFAOYSA-N
XLogP10.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.80
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene (CID 173416619) is 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene is C=CCC1CCC(C2CC=C(c3ccc(C4=CCC(C5CCC(CC=C)CC5)CC4)cc3)CC2)CC1.
What is the InChIKey of 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is WBFIDCVUOSOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50/c1-3-5-27-7-11-29(12-8-27)31-15-19-33(20-16-31)35-23-25-36(26-24-35)34-21-17-32(18-22-34)30-13-9-28(6-4-2)10-14-30/h3-4,19,21,23-32H,1-2,5-18,20,22H2.
What are the key properties of 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene?
1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 482.80 g/mol, XLogP of 10.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 173416619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).