1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene

C25H32 — CID 155708904

IUPAC1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene
SMILESC=C/C=C\C=C(\C)C/C=C(\CC)c1ccc(C(=C)CC2CCC2)cc1
InChIInChI=1S/C25H32/c1-5-7-8-10-20(3)13-14-23(6-2)25-17-15-24(16-18-25)21(4)19-22-11-9-12-22/h5,7-8,10,14-18,22H,1,4,6,9,11-13,19H2,2-3H3/b8-7-,20-10-,23-14+
InChIKeyIQKQVUXPUNNRNT-ULTWOICASA-N
MW332.53 g/mol
LogP7.76
Rot. Bonds9

About 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene

1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene (PubChem CID 155708904) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene.

Molecular Properties

Compound Name1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene
PubChem CID155708904
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene
SMILESC=C/C=C\C=C(\C)C/C=C(\CC)c1ccc(C(=C)CC2CCC2)cc1
InChIInChI=1S/C25H32/c1-5-7-8-10-20(3)13-14-23(6-2)25-17-15-24(16-18-25)21(4)19-22-11-9-12-22/h5,7-8,10,14-18,22H,1,4,6,9,11-13,19H2,2-3H3/b8-7-,20-10-,23-14+
InChIKeyIQKQVUXPUNNRNT-ULTWOICASA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene?
The IUPAC name of 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene (CID 155708904) is 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene.
What is the SMILES notation for 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene?
The canonical SMILES for 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene is C=C/C=C\C=C(\C)C/C=C(\CC)c1ccc(C(=C)CC2CCC2)cc1.
What is the InChIKey of 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene?
The InChIKey is IQKQVUXPUNNRNT-ULTWOICASA-N. The full InChI is InChI=1S/C25H32/c1-5-7-8-10-20(3)13-14-23(6-2)25-17-15-24(16-18-25)21(4)19-22-11-9-12-22/h5,7-8,10,14-18,22H,1,4,6,9,11-13,19H2,2-3H3/b8-7-,20-10-,23-14+.
What are the key properties of 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene?
1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene has a molecular weight of 332.53 g/mol, XLogP of 7.76, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylprop-1-en-2-yl)-4-[(3E,6Z,8Z)-6-methylundeca-3,6,8,10-tetraen-3-yl]benzene is sourced from PubChem (CID 155708904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).