1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene

C15H20O — CID 67151067

IUPAC1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene
SMILESC=C(C)COCC(C)=Cc1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-12(2)10-16-11-14(4)9-15-7-5-13(3)6-8-15/h5-9H,1,10-11H2,2-4H3
InChIKeyAFTIMYGQBUJGDG-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.99
Rot. Bonds5

About 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene

1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene (PubChem CID 67151067) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene
PubChem CID67151067
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene
SMILESC=C(C)COCC(C)=Cc1ccc(C)cc1
InChIInChI=1S/C15H20O/c1-12(2)10-16-11-14(4)9-15-7-5-13(3)6-8-15/h5-9H,1,10-11H2,2-4H3
InChIKeyAFTIMYGQBUJGDG-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene?
The IUPAC name of 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene (CID 67151067) is 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene?
The canonical SMILES for 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene is C=C(C)COCC(C)=Cc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene?
The InChIKey is AFTIMYGQBUJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-12(2)10-16-11-14(4)9-15-7-5-13(3)6-8-15/h5-9H,1,10-11H2,2-4H3.
What are the key properties of 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene?
1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene has a molecular weight of 216.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-3-(2-methylprop-2-enoxy)prop-1-enyl]benzene is sourced from PubChem (CID 67151067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).