3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene

C19H22 — CID 174358180

IUPAC3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene
SMILESC=C/C=C\c1c(C=C)ccc(/C(C)=C\C)c1/C=C\C
InChIInChI=1S/C19H22/c1-6-10-12-18-16(9-4)13-14-17(15(5)8-3)19(18)11-7-2/h6-14H,1,4H2,2-3,5H3/b11-7-,12-10-,15-8-
InChIKeyTVBVFVYABUSECW-QMJDEZIQSA-N
MW250.38 g/mol
LogP5.99
Rot. Bonds5

About 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene

3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene (PubChem CID 174358180) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene
PubChem CID174358180
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene
SMILESC=C/C=C\c1c(C=C)ccc(/C(C)=C\C)c1/C=C\C
InChIInChI=1S/C19H22/c1-6-10-12-18-16(9-4)13-14-17(15(5)8-3)19(18)11-7-2/h6-14H,1,4H2,2-3,5H3/b11-7-,12-10-,15-8-
InChIKeyTVBVFVYABUSECW-QMJDEZIQSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
CID 142381908
4-[(Z)-but-2-en-2-yl]-3-ethenyl-1-methylpyridin-1-ium
CID 145169346
3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
CID 89213419
6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde
CID 143407181
8,9-bis(ethenyl)-12-hexa-2,4-dien-2-yl-5-hexa-1,3,5-trien-2-ylbenzo[10]annulene
CID 123191110
3-buta-1,3-dienyl-1-ethenyl-2,4-difluorobenzene
CID 175190379
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 130271448
(1E)-1-[2-[(1Z)-buta-1,3-dienyl]-3,4,6-tris(ethenyl)-5-[(Z)-prop-1-enyl]phenyl]buta-1,3-diene-1-thiol
CID 166695987
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
6-ethenyl-2-iodo-5-[(Z)-prop-1-enyl]quinazoline
CID 155153283
(1E)-1-[2-[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)-6-methyl-5-[(Z)-prop-1-enyl]phenyl]buta-1,3-diene-2-thiol
CID 166695909

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene (CID 174358180) is 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene is C=C/C=C\c1c(C=C)ccc(/C(C)=C\C)c1/C=C\C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene?
The InChIKey is TVBVFVYABUSECW-QMJDEZIQSA-N. The full InChI is InChI=1S/C19H22/c1-6-10-12-18-16(9-4)13-14-17(15(5)8-3)19(18)11-7-2/h6-14H,1,4H2,2-3,5H3/b11-7-,12-10-,15-8-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene?
3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene has a molecular weight of 250.38 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-1-[(Z)-but-2-en-2-yl]-4-ethenyl-2-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 174358180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).