iodo prop-2-enyl carbonate

C4H5IO3 — CID 87691823

IUPACiodo prop-2-enyl carbonate
SMILESC=CCOC(=O)OI
InChIInChI=1S/C4H5IO3/c1-2-3-7-4(6)8-5/h2H,1,3H2
InChIKeyNEHCUZKQLMYGST-UHFFFAOYSA-N
MW227.98 g/mol
LogP1.68
Rot. Bonds2

About iodo prop-2-enyl carbonate

iodo prop-2-enyl carbonate (PubChem CID 87691823) has the molecular formula C4H5IO3 and a molecular weight of 227.98 g/mol. Its IUPAC name is iodo prop-2-enyl carbonate.

Molecular Properties

Compound Nameiodo prop-2-enyl carbonate
PubChem CID87691823
Molecular FormulaC4H5IO3
Molecular Weight227.98 g/mol
Exact Mass227.93
IUPAC Nameiodo prop-2-enyl carbonate
SMILESC=CCOC(=O)OI
InChIInChI=1S/C4H5IO3/c1-2-3-7-4(6)8-5/h2H,1,3H2
InChIKeyNEHCUZKQLMYGST-UHFFFAOYSA-N
XLogP1.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.98
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) carbonate;ethene
CID 87465968
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate
CID 67366069
CID 140777128
CID 140777128
2-methylpropyl prop-2-enyl carbonate
CID 6420250
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
CID 87661731

Frequently Asked Questions

What is the IUPAC name of iodo prop-2-enyl carbonate?
The IUPAC name of iodo prop-2-enyl carbonate (CID 87691823) is iodo prop-2-enyl carbonate.
What is the SMILES notation for iodo prop-2-enyl carbonate?
The canonical SMILES for iodo prop-2-enyl carbonate is C=CCOC(=O)OI.
What is the InChIKey of iodo prop-2-enyl carbonate?
The InChIKey is NEHCUZKQLMYGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IO3/c1-2-3-7-4(6)8-5/h2H,1,3H2.
What are the key properties of iodo prop-2-enyl carbonate?
iodo prop-2-enyl carbonate has a molecular weight of 227.98 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo prop-2-enyl carbonate is sourced from PubChem (CID 87691823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).