2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol

C7H16O5 — CID 87486129

IUPAC2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol
SMILESCOC(CO)(CO)OC(C)CO
InChIInChI=1S/C7H16O5/c1-6(3-8)12-7(4-9,5-10)11-2/h6,8-10H,3-5H2,1-2H3
InChIKeyKVKNXUGXAOTVJQ-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.29
Rot. Bonds6

About 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol

2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol (PubChem CID 87486129) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol
PubChem CID87486129
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol
SMILESCOC(CO)(CO)OC(C)CO
InChIInChI=1S/C7H16O5/c1-6(3-8)12-7(4-9,5-10)11-2/h6,8-10H,3-5H2,1-2H3
InChIKeyKVKNXUGXAOTVJQ-UHFFFAOYSA-N
XLogP-1.29
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-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 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol?
The IUPAC name of 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol (CID 87486129) is 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol?
The canonical SMILES for 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol is COC(CO)(CO)OC(C)CO.
What is the InChIKey of 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol?
The InChIKey is KVKNXUGXAOTVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5/c1-6(3-8)12-7(4-9,5-10)11-2/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol?
2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol has a molecular weight of 180.20 g/mol, XLogP of -1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yloxy)-2-methoxypropane-1,3-diol is sourced from PubChem (CID 87486129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).