2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene

C11H20O2 — CID 129069600

IUPAC2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene
SMILESC=C(C)COCC(C)OCC(=C)C
InChIInChI=1S/C11H20O2/c1-9(2)6-12-8-11(5)13-7-10(3)4/h11H,1,3,6-8H2,2,4-5H3
InChIKeyQOLUFDFVOKNBLI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds7

About 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene

2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene (PubChem CID 129069600) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene
PubChem CID129069600
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene
SMILESC=C(C)COCC(C)OCC(=C)C
InChIInChI=1S/C11H20O2/c1-9(2)6-12-8-11(5)13-7-10(3)4/h11H,1,3,6-8H2,2,4-5H3
InChIKeyQOLUFDFVOKNBLI-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene?
The IUPAC name of 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene (CID 129069600) is 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene.
What is the SMILES notation for 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene?
The canonical SMILES for 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene is C=C(C)COCC(C)OCC(=C)C.
What is the InChIKey of 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene?
The InChIKey is QOLUFDFVOKNBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)6-12-8-11(5)13-7-10(3)4/h11H,1,3,6-8H2,2,4-5H3.
What are the key properties of 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene?
2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene has a molecular weight of 184.28 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methylprop-2-enoxy)propoxy]prop-1-ene is sourced from PubChem (CID 129069600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).