1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene

C20H26 — CID 145461755

IUPAC1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene
SMILESC=C/C=C\C(=C/CCC)c1cccc(C(=C)CCC)c1
InChIInChI=1S/C20H26/c1-5-8-12-18(13-9-6-2)20-15-10-14-19(16-20)17(4)11-7-3/h5,8,10,12-16H,1,4,6-7,9,11H2,2-3H3/b12-8-,18-13+
InChIKeyMZMBRQLMSIVZHX-ZVRSJVCFSA-N
MW266.43 g/mol
LogP6.43
Rot. Bonds8

About 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene

1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene (PubChem CID 145461755) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene
PubChem CID145461755
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene
SMILESC=C/C=C\C(=C/CCC)c1cccc(C(=C)CCC)c1
InChIInChI=1S/C20H26/c1-5-8-12-18(13-9-6-2)20-15-10-14-19(16-20)17(4)11-7-3/h5,8,10,12-16H,1,4,6-7,9,11H2,2-3H3/b12-8-,18-13+
InChIKeyMZMBRQLMSIVZHX-ZVRSJVCFSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.43
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-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene?
The IUPAC name of 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene (CID 145461755) is 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene.
What is the SMILES notation for 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene?
The canonical SMILES for 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene is C=C/C=C\C(=C/CCC)c1cccc(C(=C)CCC)c1.
What is the InChIKey of 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene?
The InChIKey is MZMBRQLMSIVZHX-ZVRSJVCFSA-N. The full InChI is InChI=1S/C20H26/c1-5-8-12-18(13-9-6-2)20-15-10-14-19(16-20)17(4)11-7-3/h5,8,10,12-16H,1,4,6-7,9,11H2,2-3H3/b12-8-,18-13+.
What are the key properties of 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene?
1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene has a molecular weight of 266.43 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene is sourced from PubChem (CID 145461755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).