1-methyl-3,5-bis(3-methylbut-3-enyl)benzene

C17H24 — CID 599502

IUPAC1-methyl-3,5-bis(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1cc(C)cc(CCC(=C)C)c1
InChIInChI=1S/C17H24/c1-13(2)6-8-16-10-15(5)11-17(12-16)9-7-14(3)4/h10-12H,1,3,6-9H2,2,4-5H3
InChIKeyZDATUOSTZOHMBC-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.01
Rot. Bonds6

About 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene

1-methyl-3,5-bis(3-methylbut-3-enyl)benzene (PubChem CID 599502) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1-methyl-3,5-bis(3-methylbut-3-enyl)benzene
PubChem CID599502
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-methyl-3,5-bis(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1cc(C)cc(CCC(=C)C)c1
InChIInChI=1S/C17H24/c1-13(2)6-8-16-10-15(5)11-17(12-16)9-7-14(3)4/h10-12H,1,3,6-9H2,2,4-5H3
InChIKeyZDATUOSTZOHMBC-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene?
The IUPAC name of 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene (CID 599502) is 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene.
What is the SMILES notation for 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene?
The canonical SMILES for 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene is C=C(C)CCc1cc(C)cc(CCC(=C)C)c1.
What is the InChIKey of 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene?
The InChIKey is ZDATUOSTZOHMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-13(2)6-8-16-10-15(5)11-17(12-16)9-7-14(3)4/h10-12H,1,3,6-9H2,2,4-5H3.
What are the key properties of 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene?
1-methyl-3,5-bis(3-methylbut-3-enyl)benzene has a molecular weight of 228.38 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(3-methylbut-3-enyl)benzene is sourced from PubChem (CID 599502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).