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

C16H30O4 — CID 164792013

IUPAC2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene
SMILESC=C(C)COCCOC(C)COCC(C)OCC(=C)C
InChIInChI=1S/C16H30O4/c1-13(2)9-17-7-8-19-15(5)11-18-12-16(6)20-10-14(3)4/h15-16H,1,3,7-12H2,2,4-6H3
InChIKeyIBRPYPMSQSNKER-UHFFFAOYSA-N
MW286.41 g/mol
LogP2.98
Rot. Bonds13

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

2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene (PubChem CID 164792013) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene
PubChem CID164792013
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene
SMILESC=C(C)COCCOC(C)COCC(C)OCC(=C)C
InChIInChI=1S/C16H30O4/c1-13(2)9-17-7-8-19-15(5)11-18-12-16(6)20-10-14(3)4/h15-16H,1,3,7-12H2,2,4-6H3
InChIKeyIBRPYPMSQSNKER-UHFFFAOYSA-N
XLogP2.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene?
The IUPAC name of 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene (CID 164792013) is 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene.
What is the SMILES notation for 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene?
The canonical SMILES for 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene is C=C(C)COCCOC(C)COCC(C)OCC(=C)C.
What is the InChIKey of 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene?
The InChIKey is IBRPYPMSQSNKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-13(2)9-17-7-8-19-15(5)11-18-12-16(6)20-10-14(3)4/h15-16H,1,3,7-12H2,2,4-6H3.
What are the key properties of 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene?
2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene has a molecular weight of 286.41 g/mol, XLogP of 2.98, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[1-[2-(2-methylprop-2-enoxy)propoxy]propan-2-yloxy]ethoxy]prop-1-ene is sourced from PubChem (CID 164792013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).