1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene

C14H18 — CID 162730424

IUPAC1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
SMILESC/C=C(C)/C(C)=C/c1ccccc1C
InChIInChI=1S/C14H18/c1-5-11(2)13(4)10-14-9-7-6-8-12(14)3/h5-10H,1-4H3/b11-5+,13-10+
InChIKeyKSNMNZHFHXWDPY-WSZHTMQWSA-N
MW186.30 g/mol
LogP4.36
Rot. Bonds2

About 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene

1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene (PubChem CID 162730424) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
PubChem CID162730424
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene
SMILESC/C=C(C)/C(C)=C/c1ccccc1C
InChIInChI=1S/C14H18/c1-5-11(2)13(4)10-14-9-7-6-8-12(14)3/h5-10H,1-4H3/b11-5+,13-10+
InChIKeyKSNMNZHFHXWDPY-WSZHTMQWSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene?
The IUPAC name of 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene (CID 162730424) is 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene.
What is the SMILES notation for 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene?
The canonical SMILES for 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene is C/C=C(C)/C(C)=C/c1ccccc1C.
What is the InChIKey of 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene?
The InChIKey is KSNMNZHFHXWDPY-WSZHTMQWSA-N. The full InChI is InChI=1S/C14H18/c1-5-11(2)13(4)10-14-9-7-6-8-12(14)3/h5-10H,1-4H3/b11-5+,13-10+.
What are the key properties of 1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene?
1-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene 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-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-2-methylbenzene is sourced from PubChem (CID 162730424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).