3-(2-methylpropoxy)propane-1,2-diol

C7H16O3 — CID 3046291

IUPAC3-(2-methylpropoxy)propane-1,2-diol
SMILESCC(C)COCC(O)CO
InChIInChI=1S/C7H16O3/c1-6(2)4-10-5-7(9)3-8/h6-9H,3-5H2,1-2H3
InChIKeyXGHAAJWWNQHCQI-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.01
Rot. Bonds5

About 3-(2-methylpropoxy)propane-1,2-diol

3-(2-methylpropoxy)propane-1,2-diol (PubChem CID 3046291) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-(2-methylpropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methylpropoxy)propane-1,2-diol
PubChem CID3046291
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name3-(2-methylpropoxy)propane-1,2-diol
SMILESCC(C)COCC(O)CO
InChIInChI=1S/C7H16O3/c1-6(2)4-10-5-7(9)3-8/h6-9H,3-5H2,1-2H3
InChIKeyXGHAAJWWNQHCQI-UHFFFAOYSA-N
XLogP0.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)propane-1,2-diol?
The IUPAC name of 3-(2-methylpropoxy)propane-1,2-diol (CID 3046291) is 3-(2-methylpropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-methylpropoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-methylpropoxy)propane-1,2-diol is CC(C)COCC(O)CO.
What is the InChIKey of 3-(2-methylpropoxy)propane-1,2-diol?
The InChIKey is XGHAAJWWNQHCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-6(2)4-10-5-7(9)3-8/h6-9H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)propane-1,2-diol?
3-(2-methylpropoxy)propane-1,2-diol has a molecular weight of 148.20 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)propane-1,2-diol is sourced from PubChem (CID 3046291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).