1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene

C17H16 — CID 142474091

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
SMILESC=C/C=C(\C=C/C)c1cccc2ccccc12
InChIInChI=1S/C17H16/c1-3-8-14(9-4-2)17-13-7-11-15-10-5-6-12-16(15)17/h3-13H,1H2,2H3/b9-4-,14-8+
InChIKeyGUXFOMRRVPESJU-MPIKLPQRSA-N
MW220.31 g/mol
LogP4.99
Rot. Bonds3

About 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene (PubChem CID 142474091) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
PubChem CID142474091
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
SMILESC=C/C=C(\C=C/C)c1cccc2ccccc12
InChIInChI=1S/C17H16/c1-3-8-14(9-4-2)17-13-7-11-15-10-5-6-12-16(15)17/h3-13H,1H2,2H3/b9-4-,14-8+
InChIKeyGUXFOMRRVPESJU-MPIKLPQRSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene (CID 142474091) is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene is C=C/C=C(\C=C/C)c1cccc2ccccc12.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene?
The InChIKey is GUXFOMRRVPESJU-MPIKLPQRSA-N. The full InChI is InChI=1S/C17H16/c1-3-8-14(9-4-2)17-13-7-11-15-10-5-6-12-16(15)17/h3-13H,1H2,2H3/b9-4-,14-8+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene?
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene has a molecular weight of 220.31 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene is sourced from PubChem (CID 142474091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).