1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene

C20H26 — CID 145041880

IUPAC1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene
SMILESC=CC1CCC(c2ccc(C(=C)/C=C\CC)cc2)CC1
InChIInChI=1S/C20H26/c1-4-6-7-16(3)18-12-14-20(15-13-18)19-10-8-17(5-2)9-11-19/h5-7,12-15,17,19H,2-4,8-11H2,1H3/b7-6-
InChIKeyZMPUPSUESNLYFI-SREVYHEPSA-N
MW266.43 g/mol
LogP6.13
Rot. Bonds5

About 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene

1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene (PubChem CID 145041880) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene
PubChem CID145041880
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene
SMILESC=CC1CCC(c2ccc(C(=C)/C=C\CC)cc2)CC1
InChIInChI=1S/C20H26/c1-4-6-7-16(3)18-12-14-20(15-13-18)19-10-8-17(5-2)9-11-19/h5-7,12-15,17,19H,2-4,8-11H2,1H3/b7-6-
InChIKeyZMPUPSUESNLYFI-SREVYHEPSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene (CID 145041880) is 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene is C=CC1CCC(c2ccc(C(=C)/C=C\CC)cc2)CC1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene?
The InChIKey is ZMPUPSUESNLYFI-SREVYHEPSA-N. The full InChI is InChI=1S/C20H26/c1-4-6-7-16(3)18-12-14-20(15-13-18)19-10-8-17(5-2)9-11-19/h5-7,12-15,17,19H,2-4,8-11H2,1H3/b7-6-.
What are the key properties of 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene?
1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene has a molecular weight of 266.43 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene is sourced from PubChem (CID 145041880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).