ethyl carbonochloridate;oxirane

C5H9ClO3 — CID 174958217

IUPACethyl carbonochloridate;oxirane
SMILESC1CO1.CCOC(=O)Cl
InChIInChI=1S/C3H5ClO2.C2H4O/c1-2-6-3(4)5;1-2-3-1/h2H2,1H3;1-2H2
InChIKeyHYVDNZIOLPFDHV-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.40
Rot. Bonds1

About ethyl carbonochloridate;oxirane

ethyl carbonochloridate;oxirane (PubChem CID 174958217) has the molecular formula C5H9ClO3 and a molecular weight of 152.58 g/mol. Its IUPAC name is ethyl carbonochloridate;oxirane.

Molecular Properties

Compound Nameethyl carbonochloridate;oxirane
PubChem CID174958217
Molecular FormulaC5H9ClO3
Molecular Weight152.58 g/mol
Exact Mass152.02
IUPAC Nameethyl carbonochloridate;oxirane
SMILESC1CO1.CCOC(=O)Cl
InChIInChI=1S/C3H5ClO2.C2H4O/c1-2-6-3(4)5;1-2-3-1/h2H2,1H3;1-2H2
InChIKeyHYVDNZIOLPFDHV-UHFFFAOYSA-N
XLogP1.40
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;ethyl carbonochloridate;hydroxide
CID 159645066
1,4-dioxane;ethyl carbamate;urea
CID 175495068
ethyl carbonobromidate;ethyl carbonochloridate
CID 157350669
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
ethyl carbonochloridate;pentanedial
CID 22320045
1,3-dioxane;ethyl methyl carbonate
CID 174876251
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
ethyl carbamate
CID 161409576
ethyl carbonochloridate;4-hydrazinylcyclohexane-1-carboxylic acid
CID 174958669
diethyl 2-methylpropanedioate;oxolane
CID 174718682
ethyl carbamate;platinum
CID 174699937

Frequently Asked Questions

What is the IUPAC name of ethyl carbonochloridate;oxirane?
The IUPAC name of ethyl carbonochloridate;oxirane (CID 174958217) is ethyl carbonochloridate;oxirane.
What is the SMILES notation for ethyl carbonochloridate;oxirane?
The canonical SMILES for ethyl carbonochloridate;oxirane is C1CO1.CCOC(=O)Cl.
What is the InChIKey of ethyl carbonochloridate;oxirane?
The InChIKey is HYVDNZIOLPFDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO2.C2H4O/c1-2-6-3(4)5;1-2-3-1/h2H2,1H3;1-2H2.
What are the key properties of ethyl carbonochloridate;oxirane?
ethyl carbonochloridate;oxirane has a molecular weight of 152.58 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbonochloridate;oxirane is sourced from PubChem (CID 174958217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).