[(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene

C19H20 — CID 143838245

IUPAC[(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene
SMILESC=C(C)C(/C=C\C)=C(C#Cc1ccccc1)\C=C/C
InChIInChI=1S/C19H20/c1-5-10-18(19(11-6-2)16(3)4)15-14-17-12-8-7-9-13-17/h5-13H,3H2,1-2,4H3/b10-5-,11-6-,19-18+
InChIKeyZMZSPCXUZIRQMA-IODJRKIVSA-N
MW248.37 g/mol
LogP5.06
Rot. Bonds3

About [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene

[(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene (PubChem CID 143838245) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene.

Molecular Properties

Compound Name[(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene
PubChem CID143838245
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name[(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene
SMILESC=C(C)C(/C=C\C)=C(C#Cc1ccccc1)\C=C/C
InChIInChI=1S/C19H20/c1-5-10-18(19(11-6-2)16(3)4)15-14-17-12-8-7-9-13-17/h5-13H,3H2,1-2,4H3/b10-5-,11-6-,19-18+
InChIKeyZMZSPCXUZIRQMA-IODJRKIVSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]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

propan-2-one;[(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene
CID 143838244
2-[(3E)-4-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-ynyl]benzonitrile
CID 143838177
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
3-methylpenta-3,4-dien-1-ynylbenzene
CID 11182723
(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143
4-phenylbut-1-en-3-yn-2-yl acetate
CID 15864474
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
1-fluoro-3-(3-methylidenehex-4-en-1-ynyl)benzene
CID 123702616
(E)-3-methyl-5-phenylpent-2-en-4-yn-1-ol
CID 10797282
ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
(NE)-N-(4-phenylbut-3-yn-2-ylidene)hydroxylamine
CID 10920802

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene?
The IUPAC name of [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene (CID 143838245) is [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene.
What is the SMILES notation for [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene?
The canonical SMILES for [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene is C=C(C)C(/C=C\C)=C(C#Cc1ccccc1)\C=C/C.
What is the InChIKey of [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene?
The InChIKey is ZMZSPCXUZIRQMA-IODJRKIVSA-N. The full InChI is InChI=1S/C19H20/c1-5-10-18(19(11-6-2)16(3)4)15-14-17-12-8-7-9-13-17/h5-13H,3H2,1-2,4H3/b10-5-,11-6-,19-18+.
What are the key properties of [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene?
[(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylhepta-3,5-dien-1-ynyl]benzene is sourced from PubChem (CID 143838245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).