2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol

C12H24O3 — CID 544293

IUPAC2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol
SMILESC=C(C)COC(C)(C)COC(C)(C)CO
InChIInChI=1S/C12H24O3/c1-10(2)7-14-12(5,6)9-15-11(3,4)8-13/h13H,1,7-9H2,2-6H3
InChIKeyQSZCPGMPLJTNHH-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.15
Rot. Bonds7

About 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol

2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol (PubChem CID 544293) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol
PubChem CID544293
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol
SMILESC=C(C)COC(C)(C)COC(C)(C)CO
InChIInChI=1S/C12H24O3/c1-10(2)7-14-12(5,6)9-15-11(3,4)8-13/h13H,1,7-9H2,2-6H3
InChIKeyQSZCPGMPLJTNHH-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol?
The IUPAC name of 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol (CID 544293) is 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol is C=C(C)COC(C)(C)COC(C)(C)CO.
What is the InChIKey of 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol?
The InChIKey is QSZCPGMPLJTNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(2)7-14-12(5,6)9-15-11(3,4)8-13/h13H,1,7-9H2,2-6H3.
What are the key properties of 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol?
2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methyl-2-(2-methylprop-2-enoxy)propoxy]propan-1-ol is sourced from PubChem (CID 544293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).