carbonic acid;iodoethane

C3H7IO3 — CID 161091795

IUPACcarbonic acid;iodoethane
SMILESCCI.O=C(O)O
InChIInChI=1S/C2H5I.CH2O3/c1-2-3;2-1(3)4/h2H2,1H3;(H2,2,3,4)
InChIKeyUHGSSWFADHTQBR-UHFFFAOYSA-N
MW217.99 g/mol
LogP1.66
Rot. Bonds

About carbonic acid;iodoethane

carbonic acid;iodoethane (PubChem CID 161091795) has the molecular formula C3H7IO3 and a molecular weight of 217.99 g/mol. Its IUPAC name is carbonic acid;iodoethane.

Molecular Properties

Compound Namecarbonic acid;iodoethane
PubChem CID161091795
Molecular FormulaC3H7IO3
Molecular Weight217.99 g/mol
Exact Mass217.94
IUPAC Namecarbonic acid;iodoethane
SMILESCCI.O=C(O)O
InChIInChI=1S/C2H5I.CH2O3/c1-2-3;2-1(3)4/h2H2,1H3;(H2,2,3,4)
InChIKeyUHGSSWFADHTQBR-UHFFFAOYSA-N
XLogP1.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.99
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173367789
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CID 22146514
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CID 173481374
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CID 175341234
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CID 71339629

Frequently Asked Questions

What is the IUPAC name of carbonic acid;iodoethane?
The IUPAC name of carbonic acid;iodoethane (CID 161091795) is carbonic acid;iodoethane.
What is the SMILES notation for carbonic acid;iodoethane?
The canonical SMILES for carbonic acid;iodoethane is CCI.O=C(O)O.
What is the InChIKey of carbonic acid;iodoethane?
The InChIKey is UHGSSWFADHTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5I.CH2O3/c1-2-3;2-1(3)4/h2H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;iodoethane?
carbonic acid;iodoethane has a molecular weight of 217.99 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;iodoethane is sourced from PubChem (CID 161091795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).