2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol

C8H18O5 — CID 18939758

IUPAC2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol
SMILESCOC(OC)C(CO)C(OC)OC
InChIInChI=1S/C8H18O5/c1-10-7(11-2)6(5-9)8(12-3)13-4/h6-9H,5H2,1-4H3
InChIKeyJQMJMUYMMSPHMY-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.17
Rot. Bonds7

About 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol

2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol (PubChem CID 18939758) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol
PubChem CID18939758
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol
SMILESCOC(OC)C(CO)C(OC)OC
InChIInChI=1S/C8H18O5/c1-10-7(11-2)6(5-9)8(12-3)13-4/h6-9H,5H2,1-4H3
InChIKeyJQMJMUYMMSPHMY-UHFFFAOYSA-N
XLogP-0.17
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol?
The IUPAC name of 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol (CID 18939758) is 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol.
What is the SMILES notation for 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol?
The canonical SMILES for 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol is COC(OC)C(CO)C(OC)OC.
What is the InChIKey of 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol?
The InChIKey is JQMJMUYMMSPHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5/c1-10-7(11-2)6(5-9)8(12-3)13-4/h6-9H,5H2,1-4H3.
What are the key properties of 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol?
2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol has a molecular weight of 194.23 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3,3-dimethoxypropan-1-ol is sourced from PubChem (CID 18939758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).