1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene

C15H22O — CID 173371935

IUPAC1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene
SMILESC=CCc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C15H22O/c1-6-7-14-8-12(4)15(13(5)9-14)16-10-11(2)3/h6,8-9,11H,1,7,10H2,2-5H3
InChIKeyHIUWGFQKSHEKHP-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.07
Rot. Bonds5

About 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene

1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene (PubChem CID 173371935) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene
PubChem CID173371935
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene
SMILESC=CCc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C15H22O/c1-6-7-14-8-12(4)15(13(5)9-14)16-10-11(2)3/h6,8-9,11H,1,7,10H2,2-5H3
InChIKeyHIUWGFQKSHEKHP-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.07
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 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene?
The IUPAC name of 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene (CID 173371935) is 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene.
What is the SMILES notation for 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene?
The canonical SMILES for 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene is C=CCc1cc(C)c(OCC(C)C)c(C)c1.
What is the InChIKey of 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene?
The InChIKey is HIUWGFQKSHEKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-6-7-14-8-12(4)15(13(5)9-14)16-10-11(2)3/h6,8-9,11H,1,7,10H2,2-5H3.
What are the key properties of 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene?
1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene is sourced from PubChem (CID 173371935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).