2,2-dimethoxypropan-1-ol

C5H12O3 — CID 11499208

IUPAC2,2-dimethoxypropan-1-ol
SMILESCOC(C)(CO)OC
InChIInChI=1S/C5H12O3/c1-5(4-6,7-2)8-3/h6H,4H2,1-3H3
InChIKeyIOOUWNQSMXVTRP-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.01
Rot. Bonds3

About 2,2-dimethoxypropan-1-ol

2,2-dimethoxypropan-1-ol (PubChem CID 11499208) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2,2-dimethoxypropan-1-ol.

Molecular Properties

Compound Name2,2-dimethoxypropan-1-ol
PubChem CID11499208
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Name2,2-dimethoxypropan-1-ol
SMILESCOC(C)(CO)OC
InChIInChI=1S/C5H12O3/c1-5(4-6,7-2)8-3/h6H,4H2,1-3H3
InChIKeyIOOUWNQSMXVTRP-UHFFFAOYSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropan-1-ol?
The IUPAC name of 2,2-dimethoxypropan-1-ol (CID 11499208) is 2,2-dimethoxypropan-1-ol.
What is the SMILES notation for 2,2-dimethoxypropan-1-ol?
The canonical SMILES for 2,2-dimethoxypropan-1-ol is COC(C)(CO)OC.
What is the InChIKey of 2,2-dimethoxypropan-1-ol?
The InChIKey is IOOUWNQSMXVTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3/c1-5(4-6,7-2)8-3/h6H,4H2,1-3H3.
What are the key properties of 2,2-dimethoxypropan-1-ol?
2,2-dimethoxypropan-1-ol has a molecular weight of 120.15 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropan-1-ol is sourced from PubChem (CID 11499208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).