methoxymethyl carbonochloridate

C3H5ClO3 — CID 21418650

IUPACmethoxymethyl carbonochloridate
SMILESCOCOC(=O)Cl
InChIInChI=1S/C3H5ClO3/c1-6-2-7-3(4)5/h2H2,1H3
InChIKeyKDVAOFBXNWJUDU-UHFFFAOYSA-N
MW124.52 g/mol
LogP0.97
Rot. Bonds2

About methoxymethyl carbonochloridate

methoxymethyl carbonochloridate (PubChem CID 21418650) has the molecular formula C3H5ClO3 and a molecular weight of 124.52 g/mol. Its IUPAC name is methoxymethyl carbonochloridate.

Molecular Properties

Compound Namemethoxymethyl carbonochloridate
PubChem CID21418650
Molecular FormulaC3H5ClO3
Molecular Weight124.52 g/mol
Exact Mass123.99
IUPAC Namemethoxymethyl carbonochloridate
SMILESCOCOC(=O)Cl
InChIInChI=1S/C3H5ClO3/c1-6-2-7-3(4)5/h2H2,1H3
InChIKeyKDVAOFBXNWJUDU-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.52
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-(methoxymethyl) chloromethanethioate
CID 54202371
sodium methoxymethyl carbonate
CID 139846012
2-(2-ethoxyethoxy)ethoxymethyl carbonochloridate
CID 23509236
methane;methoxymethyl 3-oxobutanoate
CID 158766940
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
methane;methoxymethyl butanoate
CID 159855538
sodium;ethyl carbonochloridate;hydroxide
CID 159645066
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
azane;methyl carbonochloridate
CID 126567257
[(E)-4-carbonochloridoyloxybut-2-enyl] carbonochloridate
CID 18913356
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826

Frequently Asked Questions

What is the IUPAC name of methoxymethyl carbonochloridate?
The IUPAC name of methoxymethyl carbonochloridate (CID 21418650) is methoxymethyl carbonochloridate.
What is the SMILES notation for methoxymethyl carbonochloridate?
The canonical SMILES for methoxymethyl carbonochloridate is COCOC(=O)Cl.
What is the InChIKey of methoxymethyl carbonochloridate?
The InChIKey is KDVAOFBXNWJUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO3/c1-6-2-7-3(4)5/h2H2,1H3.
What are the key properties of methoxymethyl carbonochloridate?
methoxymethyl carbonochloridate has a molecular weight of 124.52 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl carbonochloridate is sourced from PubChem (CID 21418650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).