oxiran-2-ylmethoxy carbonochloridate

C4H5ClO4 — CID 87599534

IUPACoxiran-2-ylmethoxy carbonochloridate
SMILESO=C(Cl)OOCC1CO1
InChIInChI=1S/C4H5ClO4/c5-4(6)9-8-2-3-1-7-3/h3H,1-2H2
InChIKeyJLXZJKNZTQLSEG-UHFFFAOYSA-N
MW152.53 g/mol
LogP0.69
Rot. Bonds3

About oxiran-2-ylmethoxy carbonochloridate

oxiran-2-ylmethoxy carbonochloridate (PubChem CID 87599534) has the molecular formula C4H5ClO4 and a molecular weight of 152.53 g/mol. Its IUPAC name is oxiran-2-ylmethoxy carbonochloridate.

Molecular Properties

Compound Nameoxiran-2-ylmethoxy carbonochloridate
PubChem CID87599534
Molecular FormulaC4H5ClO4
Molecular Weight152.53 g/mol
Exact Mass151.99
IUPAC Nameoxiran-2-ylmethoxy carbonochloridate
SMILESO=C(Cl)OOCC1CO1
InChIInChI=1S/C4H5ClO4/c5-4(6)9-8-2-3-1-7-3/h3H,1-2H2
InChIKeyJLXZJKNZTQLSEG-UHFFFAOYSA-N
XLogP0.69
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.53
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxiran-2-ylmethyl 2-methylprop-2-eneperoxoate
CID 18326856
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
oxiran-2-ylmethyl benzenecarboperoxoate
CID 154251538
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
2-chloro-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
CID 88735319
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
2-(ethylperoxymethyl)oxirane
CID 134589509
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethoxy carbonochloridate?
The IUPAC name of oxiran-2-ylmethoxy carbonochloridate (CID 87599534) is oxiran-2-ylmethoxy carbonochloridate.
What is the SMILES notation for oxiran-2-ylmethoxy carbonochloridate?
The canonical SMILES for oxiran-2-ylmethoxy carbonochloridate is O=C(Cl)OOCC1CO1.
What is the InChIKey of oxiran-2-ylmethoxy carbonochloridate?
The InChIKey is JLXZJKNZTQLSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO4/c5-4(6)9-8-2-3-1-7-3/h3H,1-2H2.
What are the key properties of oxiran-2-ylmethoxy carbonochloridate?
oxiran-2-ylmethoxy carbonochloridate has a molecular weight of 152.53 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethoxy carbonochloridate is sourced from PubChem (CID 87599534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).