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

C7H16O3 — CID 5228468

IUPAC3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol
SMILESCC(C)(C)OCC(O)CO
InChIInChI=1S/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3
InChIKeyJPWDLYMEUNBLIR-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.15
Rot. Bonds3

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

3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol (PubChem CID 5228468) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol
PubChem CID5228468
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol
SMILESCC(C)(C)OCC(O)CO
InChIInChI=1S/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3
InChIKeyJPWDLYMEUNBLIR-UHFFFAOYSA-N
XLogP0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol (CID 5228468) is 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol is CC(C)(C)OCC(O)CO.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol?
The InChIKey is JPWDLYMEUNBLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-7(2,3)10-5-6(9)4-8/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol?
3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol has a molecular weight of 148.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol is sourced from PubChem (CID 5228468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).