CID 135334439

C3H10O6 — CID 135334439

IUPAC—
SMILESOCC(O)CO.OOO
InChIInChI=1S/C3H8O3.H2O3/c4-1-3(6)2-5;1-3-2/h3-6H,1-2H2;1-2H
InChIKeyWPFUOPGGGIXQGF-UHFFFAOYSA-N
MW142.11 g/mol
LogP-1.72
Rot. Bonds2

About CID 135334439

CID 135334439 (PubChem CID 135334439) has the molecular formula C3H10O6 and a molecular weight of 142.11 g/mol.

Molecular Properties

Compound NameCID 135334439
PubChem CID135334439
Molecular FormulaC3H10O6
Molecular Weight142.11 g/mol
Exact Mass142.05
IUPAC Name—
SMILESOCC(O)CO.OOO
InChIInChI=1S/C3H8O3.H2O3/c4-1-3(6)2-5;1-3-2/h3-6H,1-2H2;1-2H
InChIKeyWPFUOPGGGIXQGF-UHFFFAOYSA-N
XLogP-1.72
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 135334439?
The IUPAC name of CID 135334439 (CID 135334439) is not available.
What is the SMILES notation for CID 135334439?
The canonical SMILES for CID 135334439 is OCC(O)CO.OOO.
What is the InChIKey of CID 135334439?
The InChIKey is WPFUOPGGGIXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.H2O3/c4-1-3(6)2-5;1-3-2/h3-6H,1-2H2;1-2H.
What are the key properties of CID 135334439?
CID 135334439 has a molecular weight of 142.11 g/mol, XLogP of -1.72, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135334439 is sourced from PubChem (CID 135334439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).