sodium methoxymethyl carbonate

C3H5NaO4 — CID 139846012

IUPACsodium methoxymethyl carbonate
SMILESCOCOC(=O)[O-].[Na+]
InChIInChI=1S/C3H6O4.Na/c1-6-2-7-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyKSYDANKOZMSOOG-UHFFFAOYSA-M
MW128.06 g/mol
LogP-4.05
Rot. Bonds2

About sodium methoxymethyl carbonate

sodium methoxymethyl carbonate (PubChem CID 139846012) has the molecular formula C3H5NaO4 and a molecular weight of 128.06 g/mol. Its IUPAC name is sodium methoxymethyl carbonate.

Molecular Properties

Compound Namesodium methoxymethyl carbonate
PubChem CID139846012
Molecular FormulaC3H5NaO4
Molecular Weight128.06 g/mol
Exact Mass128.01
IUPAC Namesodium methoxymethyl carbonate
SMILESCOCOC(=O)[O-].[Na+]
InChIInChI=1S/C3H6O4.Na/c1-6-2-7-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyKSYDANKOZMSOOG-UHFFFAOYSA-M
XLogP-4.05
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.06
LogP ≤ 5-4.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 2-methoxyethyl carbonate
CID 139846001
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
methoxymethyl carbonochloridate
CID 21418650
sodium chloromethyl carbonate
CID 175052244
methoxymethyl 2,5-dioxohexanoate
CID 130311044
methane;methoxymethyl 3-oxobutanoate
CID 158766940
methane;methoxymethyl butanoate
CID 159855538
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
magnesium propyl carbonate
CID 22154995
calcium propyl carbonate
CID 158672692
methoxymethyl 2,2-dimethylbutanoate
CID 18731138

Frequently Asked Questions

What is the IUPAC name of sodium methoxymethyl carbonate?
The IUPAC name of sodium methoxymethyl carbonate (CID 139846012) is sodium methoxymethyl carbonate.
What is the SMILES notation for sodium methoxymethyl carbonate?
The canonical SMILES for sodium methoxymethyl carbonate is COCOC(=O)[O-].[Na+].
What is the InChIKey of sodium methoxymethyl carbonate?
The InChIKey is KSYDANKOZMSOOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O4.Na/c1-6-2-7-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1.
What are the key properties of sodium methoxymethyl carbonate?
sodium methoxymethyl carbonate has a molecular weight of 128.06 g/mol, XLogP of -4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methoxymethyl carbonate is sourced from PubChem (CID 139846012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).