CID 132569192

C5H9O5 — CID 132569192

IUPAC—
SMILESCCC(CC(=O)O[O])OO
InChIInChI=1S/C5H9O5/c1-2-4(9-7)3-5(6)10-8/h4,7H,2-3H2,1H3
InChIKeyWNMYQXAKCDRYTL-UHFFFAOYSA-N
MW149.12 g/mol
LogP0.53
Rot. Bonds4

About CID 132569192

CID 132569192 (PubChem CID 132569192) has the molecular formula C5H9O5 and a molecular weight of 149.12 g/mol.

Molecular Properties

Compound NameCID 132569192
PubChem CID132569192
Molecular FormulaC5H9O5
Molecular Weight149.12 g/mol
Exact Mass149.04
IUPAC Name—
SMILESCCC(CC(=O)O[O])OO
InChIInChI=1S/C5H9O5/c1-2-4(9-7)3-5(6)10-8/h4,7H,2-3H2,1H3
InChIKeyWNMYQXAKCDRYTL-UHFFFAOYSA-N
XLogP0.53
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 132569192?
The IUPAC name of CID 132569192 (CID 132569192) is not available.
What is the SMILES notation for CID 132569192?
The canonical SMILES for CID 132569192 is CCC(CC(=O)O[O])OO.
What is the InChIKey of CID 132569192?
The InChIKey is WNMYQXAKCDRYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O5/c1-2-4(9-7)3-5(6)10-8/h4,7H,2-3H2,1H3.
What are the key properties of CID 132569192?
CID 132569192 has a molecular weight of 149.12 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132569192 is sourced from PubChem (CID 132569192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).