1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene

C14H18 — CID 142414325

IUPAC1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
SMILESC/C=C\C(C)=C(/C)c1ccccc1C
InChIInChI=1S/C14H18/c1-5-8-11(2)13(4)14-10-7-6-9-12(14)3/h5-10H,1-4H3/b8-5-,13-11+
InChIKeyPOAINWPGJWNQGY-JXSKNCHLSA-N
MW186.30 g/mol
LogP4.36
Rot. Bonds2

About 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene

1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene (PubChem CID 142414325) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
PubChem CID142414325
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
SMILESC/C=C\C(C)=C(/C)c1ccccc1C
InChIInChI=1S/C14H18/c1-5-8-11(2)13(4)14-10-7-6-9-12(14)3/h5-10H,1-4H3/b8-5-,13-11+
InChIKeyPOAINWPGJWNQGY-JXSKNCHLSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.36
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-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-(3-ethenylhepta-1,3,5-trien-4-yl)-2-methylbenzene
CID 123213362
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
1-(3-methoxybut-2-en-2-yl)-2-methylbenzene
CID 172691256
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459
(E)-1-(2-methylphenyl)prop-1-ene-1-thiol
CID 142259115
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
ethane;N-[(Z)-3-(2-methylphenyl)but-2-en-2-yl]methanimine
CID 154679304
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
1-[(2E,5E,7E)-7-ethenyl-4-methylidene-3-prop-1-en-2-ylnona-2,5,7-trien-2-yl]-2-methylbenzene
CID 142303292

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene?
The IUPAC name of 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene (CID 142414325) is 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene?
The canonical SMILES for 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene is C/C=C\C(C)=C(/C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene?
The InChIKey is POAINWPGJWNQGY-JXSKNCHLSA-N. The full InChI is InChI=1S/C14H18/c1-5-8-11(2)13(4)14-10-7-6-9-12(14)3/h5-10H,1-4H3/b8-5-,13-11+.
What are the key properties of 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene?
1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene has a molecular weight of 186.30 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene is sourced from PubChem (CID 142414325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).