[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene

C13H14O — CID 143684378

IUPAC[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
SMILESC/C=C\C=C/C=C/Oc1ccccc1
InChIInChI=1S/C13H14O/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h2-12H,1H3/b3-2-,5-4-,12-9+
InChIKeyXBTFVVVEBVTJFV-QTVAIYMVSA-N
MW186.25 g/mol
LogP3.71
Rot. Bonds4

About [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene

[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene (PubChem CID 143684378) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene.

Molecular Properties

Compound Name[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
PubChem CID143684378
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
SMILESC/C=C\C=C/C=C/Oc1ccccc1
InChIInChI=1S/C13H14O/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h2-12H,1H3/b3-2-,5-4-,12-9+
InChIKeyXBTFVVVEBVTJFV-QTVAIYMVSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-prop-1-enoxy]benzene;zinc;chloride
CID 101206990
[(1E,3Z)-4-phenoxybuta-1,3-dienyl]benzene
CID 13355038
cyclopenta-1,3-diene;penta-1,3-dienoxybenzene;propan-2-ylidenetitanium(1+)
CID 87380685
octa-1,6-dienoxybenzene
CID 66617276
[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
hexa-2,4-dienoxybenzene;titanium
CID 87665934
S-(2-oxo-8-phenoxyocta-3,5,7-trienyl) ethanethioate
CID 87570940
diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
CID 140816196
(2E,4E,6E)-1-(oxiran-2-yl)-7-phenoxyhepta-2,4,6-trien-1-one
CID 10399475
1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
CID 145276340
[(E)-3-phenoxyprop-2-enyl]benzene
CID 11961333
2-phenoxyethenylbenzene;1,2-xylene
CID 174396691

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene?
The IUPAC name of [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene (CID 143684378) is [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene.
What is the SMILES notation for [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene?
The canonical SMILES for [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene is C/C=C\C=C/C=C/Oc1ccccc1.
What is the InChIKey of [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene?
The InChIKey is XBTFVVVEBVTJFV-QTVAIYMVSA-N. The full InChI is InChI=1S/C13H14O/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h2-12H,1H3/b3-2-,5-4-,12-9+.
What are the key properties of [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene?
[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene has a molecular weight of 186.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene is sourced from PubChem (CID 143684378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).