1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene

C26H34 — CID 12066232

IUPAC1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
SMILESC=CCC(CC=C)(CC=C)c1ccc(C(CC=C)(CC=C)CC=C)cc1
InChIInChI=1S/C26H34/c1-7-17-25(18-8-2,19-9-3)23-13-15-24(16-14-23)26(20-10-4,21-11-5)22-12-6/h7-16H,1-6,17-22H2
InChIKeyUORICYPOCBGBDM-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.62
Rot. Bonds14

About 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene

1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene (PubChem CID 12066232) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene.

Molecular Properties

Compound Name1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
PubChem CID12066232
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene
SMILESC=CCC(CC=C)(CC=C)c1ccc(C(CC=C)(CC=C)CC=C)cc1
InChIInChI=1S/C26H34/c1-7-17-25(18-8-2,19-9-3)23-13-15-24(16-14-23)26(20-10-4,21-11-5)22-12-6/h7-16H,1-6,17-22H2
InChIKeyUORICYPOCBGBDM-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.62
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-prop-2-enylhepta-1,6-dien-4-yl)benzene?
The IUPAC name of 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene (CID 12066232) is 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene.
What is the SMILES notation for 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene?
The canonical SMILES for 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene is C=CCC(CC=C)(CC=C)c1ccc(C(CC=C)(CC=C)CC=C)cc1.
What is the InChIKey of 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene?
The InChIKey is UORICYPOCBGBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-7-17-25(18-8-2,19-9-3)23-13-15-24(16-14-23)26(20-10-4,21-11-5)22-12-6/h7-16H,1-6,17-22H2.
What are the key properties of 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene?
1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene has a molecular weight of 346.56 g/mol, XLogP of 7.62, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-prop-2-enylhepta-1,6-dien-4-yl)benzene is sourced from PubChem (CID 12066232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).