CID 58239536

C5H7O2Y3- — CID 58239536

IUPAC—
SMILESCC1=C(C)O[CH-]O1.[Y].[Y].[Y]
InChIInChI=1S/C5H7O2.3Y/c1-4-5(2)7-3-6-4;;;/h3H,1-2H3;;;/q-1;;;
InChIKeyUKGSMDLLAOHMFF-UHFFFAOYSA-N
MW365.83 g/mol
LogP1.40
Rot. Bonds

About CID 58239536

CID 58239536 (PubChem CID 58239536) has the molecular formula C5H7O2Y3- and a molecular weight of 365.83 g/mol.

Molecular Properties

Compound NameCID 58239536
PubChem CID58239536
Molecular FormulaC5H7O2Y3-
Molecular Weight365.83 g/mol
Exact Mass365.76
IUPAC Name—
SMILESCC1=C(C)O[CH-]O1.[Y].[Y].[Y]
InChIInChI=1S/C5H7O2.3Y/c1-4-5(2)7-3-6-4;;;/h3H,1-2H3;;;/q-1;;;
InChIKeyUKGSMDLLAOHMFF-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58239536?
The IUPAC name of CID 58239536 (CID 58239536) is not available.
What is the SMILES notation for CID 58239536?
The canonical SMILES for CID 58239536 is CC1=C(C)O[CH-]O1.[Y].[Y].[Y].
What is the InChIKey of CID 58239536?
The InChIKey is UKGSMDLLAOHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.3Y/c1-4-5(2)7-3-6-4;;;/h3H,1-2H3;;;/q-1;;;.
What are the key properties of CID 58239536?
CID 58239536 has a molecular weight of 365.83 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58239536 is sourced from PubChem (CID 58239536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).