CID 59070061

C5H8O2 — CID 59070061

IUPAC—
SMILES[CH][C@](C)(C=O)CO
InChIInChI=1S/C5H8O2/c1-5(2,3-6)4-7/h1,3,7H,4H2,2H3/t5-/m0/s1
InChIKeyVYBISJJIFOWRMM-YFKPBYRVSA-N
MW100.12 g/mol
LogP-0.11
Rot. Bonds2

About CID 59070061

CID 59070061 (PubChem CID 59070061) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol.

Molecular Properties

Compound NameCID 59070061
PubChem CID59070061
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name—
SMILES[CH][C@](C)(C=O)CO
InChIInChI=1S/C5H8O2/c1-5(2,3-6)4-7/h1,3,7H,4H2,2H3/t5-/m0/s1
InChIKeyVYBISJJIFOWRMM-YFKPBYRVSA-N
XLogP-0.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59070061?
The IUPAC name of CID 59070061 (CID 59070061) is not available.
What is the SMILES notation for CID 59070061?
The canonical SMILES for CID 59070061 is [CH][C@](C)(C=O)CO.
What is the InChIKey of CID 59070061?
The InChIKey is VYBISJJIFOWRMM-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8O2/c1-5(2,3-6)4-7/h1,3,7H,4H2,2H3/t5-/m0/s1.
What are the key properties of CID 59070061?
CID 59070061 has a molecular weight of 100.12 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59070061 is sourced from PubChem (CID 59070061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).