1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene

C15H22 — CID 173434506

IUPAC1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene
SMILESCC(C)=CC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-12(2)10-15(4,5)11-14-8-6-13(3)7-9-14/h6-10H,11H2,1-5H3
InChIKeyDCVGEHZTTRLANV-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.53
Rot. Bonds3

About 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene

1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene (PubChem CID 173434506) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene
PubChem CID173434506
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene
SMILESCC(C)=CC(C)(C)Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-12(2)10-15(4,5)11-14-8-6-13(3)7-9-14/h6-10H,11H2,1-5H3
InChIKeyDCVGEHZTTRLANV-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-4-(4-methylphenyl)butan-2-one
CID 15767343
2-methyl-2-[(4-methylphenyl)methyl]propane-1,3-diol
CID 54018916
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane
CID 70834578
1-(2,2-dimethylpent-4-enyl)-4-methylbenzene
CID 20825972
3-[(4-methylphenyl)methyl]pentan-3-ol
CID 60799364
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
1-(2-methoxy-2-methylpropyl)-4-methylbenzene
CID 158908797
2-methyl-1-(4-methylphenyl)-4-phenylbut-3-yn-2-ol
CID 11680385
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
2,2-difluoro-3-(4-methylphenyl)propanal
CID 105440973
1-[2,2-bis(chloromethyl)-3-(4-methylphenyl)propyl]-4-methylbenzene
CID 134888789

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene?
The IUPAC name of 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene (CID 173434506) is 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene.
What is the SMILES notation for 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene?
The canonical SMILES for 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene is CC(C)=CC(C)(C)Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene?
The InChIKey is DCVGEHZTTRLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-12(2)10-15(4,5)11-14-8-6-13(3)7-9-14/h6-10H,11H2,1-5H3.
What are the key properties of 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene?
1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene has a molecular weight of 202.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene is sourced from PubChem (CID 173434506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).