1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene

C16H20 — CID 143365182

IUPAC1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
SMILESC=C(C)/C=C\C(=C/C)Cc1ccc(C)cc1
InChIInChI=1S/C16H20/c1-5-15(9-6-13(2)3)12-16-10-7-14(4)8-11-16/h5-11H,2,12H2,1,3-4H3/b9-6-,15-5+
InChIKeyPHYPCZZQKOROJA-VJDHVSDNSA-N
MW212.34 g/mol
LogP4.62
Rot. Bonds4

About 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene

1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene (PubChem CID 143365182) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
PubChem CID143365182
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
SMILESC=C(C)/C=C\C(=C/C)Cc1ccc(C)cc1
InChIInChI=1S/C16H20/c1-5-15(9-6-13(2)3)12-16-10-7-14(4)8-11-16/h5-11H,2,12H2,1,3-4H3/b9-6-,15-5+
InChIKeyPHYPCZZQKOROJA-VJDHVSDNSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.62
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-methyl-4-[4-[(4Z)-6-methyl-3-methylidenehepta-4,6-dienyl]phenyl]benzene
CID 145203948
1-ethynyl-4-[(3E)-2-methylidene-5-[(4-methylphenyl)methyl]hexa-3,5-dienyl]benzene
CID 159671138
1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene
CID 123349804
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729
4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline
CID 88960776
(E)-1-(4-methylphenyl)pent-3-en-2-one
CID 21252003
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene
CID 143383133
ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
CID 166162236
ethane;1-methyl-4-[2-(4-methylphenyl)prop-2-enyl]benzene
CID 153375358
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene?
The IUPAC name of 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene (CID 143365182) is 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene.
What is the SMILES notation for 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene?
The canonical SMILES for 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene is C=C(C)/C=C\C(=C/C)Cc1ccc(C)cc1.
What is the InChIKey of 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene?
The InChIKey is PHYPCZZQKOROJA-VJDHVSDNSA-N. The full InChI is InChI=1S/C16H20/c1-5-15(9-6-13(2)3)12-16-10-7-14(4)8-11-16/h5-11H,2,12H2,1,3-4H3/b9-6-,15-5+.
What are the key properties of 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene?
1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene is sourced from PubChem (CID 143365182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).