formic acid;trimethoxymethane

C5H12O5 — CID 21498968

IUPACformic acid;trimethoxymethane
SMILESCOC(OC)OC.O=CO
InChIInChI=1S/C4H10O3.CH2O2/c1-5-4(6-2)7-3;2-1-3/h4H,1-3H3;1H,(H,2,3)
InChIKeySRLUNIZUOAHPMM-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.09
Rot. Bonds3

About formic acid;trimethoxymethane

formic acid;trimethoxymethane (PubChem CID 21498968) has the molecular formula C5H12O5 and a molecular weight of 152.15 g/mol. Its IUPAC name is formic acid;trimethoxymethane.

Molecular Properties

Compound Nameformic acid;trimethoxymethane
PubChem CID21498968
Molecular FormulaC5H12O5
Molecular Weight152.15 g/mol
Exact Mass152.07
IUPAC Nameformic acid;trimethoxymethane
SMILESCOC(OC)OC.O=CO
InChIInChI=1S/C4H10O3.CH2O2/c1-5-4(6-2)7-3;2-1-3/h4H,1-3H3;1H,(H,2,3)
InChIKeySRLUNIZUOAHPMM-UHFFFAOYSA-N
XLogP-0.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;trimethoxymethane?
The IUPAC name of formic acid;trimethoxymethane (CID 21498968) is formic acid;trimethoxymethane.
What is the SMILES notation for formic acid;trimethoxymethane?
The canonical SMILES for formic acid;trimethoxymethane is COC(OC)OC.O=CO.
What is the InChIKey of formic acid;trimethoxymethane?
The InChIKey is SRLUNIZUOAHPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.CH2O2/c1-5-4(6-2)7-3;2-1-3/h4H,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;trimethoxymethane?
formic acid;trimethoxymethane has a molecular weight of 152.15 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;trimethoxymethane is sourced from PubChem (CID 21498968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).