formic acid;2-(2-hydroxypropoxy)propan-1-ol

C7H16O5 — CID 88614617

IUPACformic acid;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(O)COC(C)CO.O=CO
InChIInChI=1S/C6H14O3.CH2O2/c1-5(8)4-9-6(2)3-7;2-1-3/h5-8H,3-4H2,1-2H3;1H,(H,2,3)
InChIKeyMGHBBPNXYJEDIB-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.53
Rot. Bonds4

About formic acid;2-(2-hydroxypropoxy)propan-1-ol

formic acid;2-(2-hydroxypropoxy)propan-1-ol (PubChem CID 88614617) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is formic acid;2-(2-hydroxypropoxy)propan-1-ol.

Molecular Properties

Compound Nameformic acid;2-(2-hydroxypropoxy)propan-1-ol
PubChem CID88614617
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Nameformic acid;2-(2-hydroxypropoxy)propan-1-ol
SMILESCC(O)COC(C)CO.O=CO
InChIInChI=1S/C6H14O3.CH2O2/c1-5(8)4-9-6(2)3-7;2-1-3/h5-8H,3-4H2,1-2H3;1H,(H,2,3)
InChIKeyMGHBBPNXYJEDIB-UHFFFAOYSA-N
XLogP-0.53
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;2-(2-hydroxypropoxy)propan-1-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 formic acid;2-(2-hydroxypropoxy)propan-1-ol?
The IUPAC name of formic acid;2-(2-hydroxypropoxy)propan-1-ol (CID 88614617) is formic acid;2-(2-hydroxypropoxy)propan-1-ol.
What is the SMILES notation for formic acid;2-(2-hydroxypropoxy)propan-1-ol?
The canonical SMILES for formic acid;2-(2-hydroxypropoxy)propan-1-ol is CC(O)COC(C)CO.O=CO.
What is the InChIKey of formic acid;2-(2-hydroxypropoxy)propan-1-ol?
The InChIKey is MGHBBPNXYJEDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.CH2O2/c1-5(8)4-9-6(2)3-7;2-1-3/h5-8H,3-4H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;2-(2-hydroxypropoxy)propan-1-ol?
formic acid;2-(2-hydroxypropoxy)propan-1-ol has a molecular weight of 180.20 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(2-hydroxypropoxy)propan-1-ol is sourced from PubChem (CID 88614617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).