2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene

C13H18 — CID 144671874

IUPAC2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
SMILESCC/C(C)=C\c1ccc(C)cc1C
InChIInChI=1S/C13H18/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h6-9H,5H2,1-4H3/b10-9-
InChIKeyPFRBNBSFHYOROB-KTKRTIGZSA-N
MW174.29 g/mol
LogP4.12
Rot. Bonds2

About 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene

2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene (PubChem CID 144671874) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
PubChem CID144671874
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
SMILESCC/C(C)=C\c1ccc(C)cc1C
InChIInChI=1S/C13H18/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h6-9H,5H2,1-4H3/b10-9-
InChIKeyPFRBNBSFHYOROB-KTKRTIGZSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dimethyl-1-[(Z)-2-methylbut-1-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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene (CID 144671874) is 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene is CC/C(C)=C\c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
The InChIKey is PFRBNBSFHYOROB-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H18/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h6-9H,5H2,1-4H3/b10-9-.
What are the key properties of 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene?
2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene is sourced from PubChem (CID 144671874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).