3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene

C15H26O3 — CID 86004881

IUPAC3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene
SMILESC=C(C)COCC(COCC(=C)C)OCC(=C)C
InChIInChI=1S/C15H26O3/c1-12(2)7-16-10-15(18-9-14(5)6)11-17-8-13(3)4/h15H,1,3,5,7-11H2,2,4,6H3
InChIKeyWQBINWOYEPYLKY-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.13
Rot. Bonds11

About 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene

3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene (PubChem CID 86004881) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene.

Molecular Properties

Compound Name3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene
PubChem CID86004881
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene
SMILESC=C(C)COCC(COCC(=C)C)OCC(=C)C
InChIInChI=1S/C15H26O3/c1-12(2)7-16-10-15(18-9-14(5)6)11-17-8-13(3)4/h15H,1,3,5,7-11H2,2,4,6H3
InChIKeyWQBINWOYEPYLKY-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene?
The IUPAC name of 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene (CID 86004881) is 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene.
What is the SMILES notation for 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene?
The canonical SMILES for 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene is C=C(C)COCC(COCC(=C)C)OCC(=C)C.
What is the InChIKey of 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene?
The InChIKey is WQBINWOYEPYLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-12(2)7-16-10-15(18-9-14(5)6)11-17-8-13(3)4/h15H,1,3,5,7-11H2,2,4,6H3.
What are the key properties of 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene?
3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene has a molecular weight of 254.37 g/mol, XLogP of 3.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(2-methylprop-2-enoxy)propoxy]-2-methylprop-1-ene is sourced from PubChem (CID 86004881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).