1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene

C14H18 — CID 143750255

IUPAC1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
SMILESC/C=C(\C=C/CC)c1ccccc1C
InChIInChI=1S/C14H18/c1-4-6-10-13(5-2)14-11-8-7-9-12(14)3/h5-11H,4H2,1-3H3/b10-6-,13-5+
InChIKeyZYFXGGBWEBGCCS-GXUPAZJSSA-N
MW186.30 g/mol
LogP4.36
Rot. Bonds3

About 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene

1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene (PubChem CID 143750255) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
PubChem CID143750255
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
SMILESC/C=C(\C=C/CC)c1ccccc1C
InChIInChI=1S/C14H18/c1-4-6-10-13(5-2)14-11-8-7-9-12(14)3/h5-11H,4H2,1-3H3/b10-6-,13-5+
InChIKeyZYFXGGBWEBGCCS-GXUPAZJSSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

ethane;(Z,2E)-2-ethylidene-1-(2-methylphenyl)hex-3-en-1-one
CID 142097365
(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine
CID 167045869
2-chloro-3-[(2E,4Z)-hepta-2,4-dien-3-yl]pyridine
CID 144648595
ethane;(E)-2-(2-methylphenyl)but-2-enal
CID 143157071
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene
CID 143300739
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
1-hepta-1,3,5-trien-3-yl-2-methylbenzene
CID 123500463
(E)-1-(2-methylphenyl)hex-3-en-2-one
CID 103454249
(Z)-1-(2-methylphenyl)prop-1-ene-1,3-diamine
CID 129268082
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene (CID 143750255) is 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene is C/C=C(\C=C/CC)c1ccccc1C.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene?
The InChIKey is ZYFXGGBWEBGCCS-GXUPAZJSSA-N. The full InChI is InChI=1S/C14H18/c1-4-6-10-13(5-2)14-11-8-7-9-12(14)3/h5-11H,4H2,1-3H3/b10-6-,13-5+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene?
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene is sourced from PubChem (CID 143750255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).