2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol

C8H18O3 — CID 11789528

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol
SMILESCC(C)(C)OCC(CO)CO
InChIInChI=1S/C8H18O3/c1-8(2,3)11-6-7(4-9)5-10/h7,9-10H,4-6H2,1-3H3
InChIKeyWEUBXYYMPLOVJY-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.40
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol

2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol (PubChem CID 11789528) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol
PubChem CID11789528
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol
SMILESCC(C)(C)OCC(CO)CO
InChIInChI=1S/C8H18O3/c1-8(2,3)11-6-7(4-9)5-10/h7,9-10H,4-6H2,1-3H3
InChIKeyWEUBXYYMPLOVJY-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol (CID 11789528) is 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol is CC(C)(C)OCC(CO)CO.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol?
The InChIKey is WEUBXYYMPLOVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-8(2,3)11-6-7(4-9)5-10/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol?
2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol has a molecular weight of 162.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]propane-1,3-diol is sourced from PubChem (CID 11789528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).