2,2-bis(methoxymethyl)propane-1,3-diol

C7H16O4 — CID 15570862

IUPAC2,2-bis(methoxymethyl)propane-1,3-diol
SMILESCOCC(CO)(CO)COC
InChIInChI=1S/C7H16O4/c1-10-5-7(3-8,4-9)6-11-2/h8-9H,3-6H2,1-2H3
InChIKeyOPWSRKCJTWNINJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.75
Rot. Bonds6

About 2,2-bis(methoxymethyl)propane-1,3-diol

2,2-bis(methoxymethyl)propane-1,3-diol (PubChem CID 15570862) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-bis(methoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-bis(methoxymethyl)propane-1,3-diol
PubChem CID15570862
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2,2-bis(methoxymethyl)propane-1,3-diol
SMILESCOCC(CO)(CO)COC
InChIInChI=1S/C7H16O4/c1-10-5-7(3-8,4-9)6-11-2/h8-9H,3-6H2,1-2H3
InChIKeyOPWSRKCJTWNINJ-UHFFFAOYSA-N
XLogP-0.75
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(methoxymethyl)propane-1,3-diol?
The IUPAC name of 2,2-bis(methoxymethyl)propane-1,3-diol (CID 15570862) is 2,2-bis(methoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2,2-bis(methoxymethyl)propane-1,3-diol?
The canonical SMILES for 2,2-bis(methoxymethyl)propane-1,3-diol is COCC(CO)(CO)COC.
What is the InChIKey of 2,2-bis(methoxymethyl)propane-1,3-diol?
The InChIKey is OPWSRKCJTWNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-10-5-7(3-8,4-9)6-11-2/h8-9H,3-6H2,1-2H3.
What are the key properties of 2,2-bis(methoxymethyl)propane-1,3-diol?
2,2-bis(methoxymethyl)propane-1,3-diol has a molecular weight of 164.20 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(methoxymethyl)propane-1,3-diol is sourced from PubChem (CID 15570862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).