prop-2-enoxy carbonochloridate

C4H5ClO3 — CID 18179366

IUPACprop-2-enoxy carbonochloridate
SMILESC=CCOOC(=O)Cl
InChIInChI=1S/C4H5ClO3/c1-2-3-7-8-4(5)6/h2H,1,3H2
InChIKeyFNLVSVWQFGIYHJ-UHFFFAOYSA-N
MW136.53 g/mol
LogP1.48
Rot. Bonds3

About prop-2-enoxy carbonochloridate

prop-2-enoxy carbonochloridate (PubChem CID 18179366) has the molecular formula C4H5ClO3 and a molecular weight of 136.53 g/mol. Its IUPAC name is prop-2-enoxy carbonochloridate.

Molecular Properties

Compound Nameprop-2-enoxy carbonochloridate
PubChem CID18179366
Molecular FormulaC4H5ClO3
Molecular Weight136.53 g/mol
Exact Mass135.99
IUPAC Nameprop-2-enoxy carbonochloridate
SMILESC=CCOOC(=O)Cl
InChIInChI=1S/C4H5ClO3/c1-2-3-7-8-4(5)6/h2H,1,3H2
InChIKeyFNLVSVWQFGIYHJ-UHFFFAOYSA-N
XLogP1.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.53
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxy carbonochloridate?
The IUPAC name of prop-2-enoxy carbonochloridate (CID 18179366) is prop-2-enoxy carbonochloridate.
What is the SMILES notation for prop-2-enoxy carbonochloridate?
The canonical SMILES for prop-2-enoxy carbonochloridate is C=CCOOC(=O)Cl.
What is the InChIKey of prop-2-enoxy carbonochloridate?
The InChIKey is FNLVSVWQFGIYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO3/c1-2-3-7-8-4(5)6/h2H,1,3H2.
What are the key properties of prop-2-enoxy carbonochloridate?
prop-2-enoxy carbonochloridate has a molecular weight of 136.53 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxy carbonochloridate is sourced from PubChem (CID 18179366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).