2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene

C16H22 — CID 123452679

IUPAC2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene
SMILESCC=CC=C(C)CCc1ccc(C)cc1C
InChIInChI=1S/C16H22/c1-5-6-7-13(2)8-10-16-11-9-14(3)12-15(16)4/h5-7,9,11-12H,8,10H2,1-4H3
InChIKeyGYFFTIIGVBMETQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.76
Rot. Bonds4

About 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene

2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene (PubChem CID 123452679) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene
PubChem CID123452679
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene
SMILESCC=CC=C(C)CCc1ccc(C)cc1C
InChIInChI=1S/C16H22/c1-5-6-7-13(2)8-10-16-11-9-14(3)12-15(16)4/h5-7,9,11-12H,8,10H2,1-4H3
InChIKeyGYFFTIIGVBMETQ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.76
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

3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
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CID 102455257
1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
(E)-6-(2,4-dimethylphenyl)-N-ethenyl-2-methylhex-1-en-1-amine
CID 143737435
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene
CID 153358848
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
CID 142839370
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene?
The IUPAC name of 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene (CID 123452679) is 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene.
What is the SMILES notation for 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene?
The canonical SMILES for 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene is CC=CC=C(C)CCc1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene?
The InChIKey is GYFFTIIGVBMETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-5-6-7-13(2)8-10-16-11-9-14(3)12-15(16)4/h5-7,9,11-12H,8,10H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene?
2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene has a molecular weight of 214.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(3-methylhepta-3,5-dienyl)benzene is sourced from PubChem (CID 123452679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).