[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene

C16H18 — CID 155701401

IUPAC[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
SMILESC=C/C=C(\C=C/CC)/C=C\c1ccccc1
InChIInChI=1S/C16H18/c1-3-5-10-15(9-4-2)13-14-16-11-7-6-8-12-16/h4-14H,2-3H2,1H3/b10-5-,14-13-,15-9+
InChIKeyVGYHKNLKQVMKKV-RSXYIOQLSA-N
MW210.32 g/mol
LogP4.78
Rot. Bonds5

About [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene

[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene (PubChem CID 155701401) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene.

Molecular Properties

Compound Name[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
PubChem CID155701401
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
SMILESC=C/C=C(\C=C/CC)/C=C\c1ccccc1
InChIInChI=1S/C16H18/c1-3-5-10-15(9-4-2)13-14-16-11-7-6-8-12-16/h4-14H,2-3H2,1H3/b10-5-,14-13-,15-9+
InChIKeyVGYHKNLKQVMKKV-RSXYIOQLSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.78
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

[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
methyl 2-methylprop-2-enoate;3-(2-phenylethenyl)hexa-1,3,5-trienylbenzene
CID 88501534
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
benzene;but-1-enylbenzene
CID 157481332
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
2-[(2E,4E)-4-ethenylhepta-2,4,6-trienyl]-6-[(E)-3-phenylprop-2-enyl]phenol
CID 162361498
hex-3-en-2-one;styrene
CID 159171709
1-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-4-methylbenzene
CID 142164883
1-[(E)-but-1-enyl]-3-methylbenzene;(3Z)-3-methylhexa-1,3,5-triene
CID 142163059
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
3-benzylidenehepta-1,4,6-trienylbenzene;hydrate
CID 87994384
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene?
The IUPAC name of [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene (CID 155701401) is [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene.
What is the SMILES notation for [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene?
The canonical SMILES for [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene is C=C/C=C(\C=C/CC)/C=C\c1ccccc1.
What is the InChIKey of [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene?
The InChIKey is VGYHKNLKQVMKKV-RSXYIOQLSA-N. The full InChI is InChI=1S/C16H18/c1-3-5-10-15(9-4-2)13-14-16-11-7-6-8-12-16/h4-14H,2-3H2,1H3/b10-5-,14-13-,15-9+.
What are the key properties of [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene?
[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene has a molecular weight of 210.32 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene is sourced from PubChem (CID 155701401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).