CID 177476309

C4H6IO2 — CID 177476309

IUPAC—
SMILESCC(=CI)CO[O]
InChIInChI=1S/C4H6IO2/c1-4(2-5)3-7-6/h2H,3H2,1H3
InChIKeyOUPBFLFTAUJUPG-UHFFFAOYSA-N
MW212.99 g/mol
LogP1.69
Rot. Bonds2

About CID 177476309

CID 177476309 (PubChem CID 177476309) has the molecular formula C4H6IO2 and a molecular weight of 212.99 g/mol.

Molecular Properties

Compound NameCID 177476309
PubChem CID177476309
Molecular FormulaC4H6IO2
Molecular Weight212.99 g/mol
Exact Mass212.94
IUPAC Name—
SMILESCC(=CI)CO[O]
InChIInChI=1S/C4H6IO2/c1-4(2-5)3-7-6/h2H,3H2,1H3
InChIKeyOUPBFLFTAUJUPG-UHFFFAOYSA-N
XLogP1.69
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.99
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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 CID 177476309?
The IUPAC name of CID 177476309 (CID 177476309) is not available.
What is the SMILES notation for CID 177476309?
The canonical SMILES for CID 177476309 is CC(=CI)CO[O].
What is the InChIKey of CID 177476309?
The InChIKey is OUPBFLFTAUJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6IO2/c1-4(2-5)3-7-6/h2H,3H2,1H3.
What are the key properties of CID 177476309?
CID 177476309 has a molecular weight of 212.99 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177476309 is sourced from PubChem (CID 177476309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).