3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol

C8H18O5 — CID 71317311

IUPAC3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(O)COC(C)CO
InChIInChI=1S/C8H18O5/c1-6(4-9)13-5-7(10)8(11-2)12-3/h6-10H,4-5H2,1-3H3
InChIKeyHVXDLHMQVPGGIY-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.64
Rot. Bonds7

About 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol

3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol (PubChem CID 71317311) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol
PubChem CID71317311
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(O)COC(C)CO
InChIInChI=1S/C8H18O5/c1-6(4-9)13-5-7(10)8(11-2)12-3/h6-10H,4-5H2,1-3H3
InChIKeyHVXDLHMQVPGGIY-UHFFFAOYSA-N
XLogP-0.64
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol 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-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol (CID 71317311) is 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol is COC(OC)C(O)COC(C)CO.
What is the InChIKey of 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol?
The InChIKey is HVXDLHMQVPGGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5/c1-6(4-9)13-5-7(10)8(11-2)12-3/h6-10H,4-5H2,1-3H3.
What are the key properties of 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol?
3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol has a molecular weight of 194.23 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-yloxy)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 71317311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).