CID 58718709

C4H8O2 — CID 58718709

IUPAC—
SMILES[CH]OCCOC
InChIInChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3
InChIKeyFLFFKJSCXZYFJK-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.32
Rot. Bonds3

About CID 58718709

CID 58718709 (PubChem CID 58718709) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol.

Molecular Properties

Compound NameCID 58718709
PubChem CID58718709
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name—
SMILES[CH]OCCOC
InChIInChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3
InChIKeyFLFFKJSCXZYFJK-UHFFFAOYSA-N
XLogP0.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58718709?
The IUPAC name of CID 58718709 (CID 58718709) is not available.
What is the SMILES notation for CID 58718709?
The canonical SMILES for CID 58718709 is [CH]OCCOC.
What is the InChIKey of CID 58718709?
The InChIKey is FLFFKJSCXZYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3.
What are the key properties of CID 58718709?
CID 58718709 has a molecular weight of 88.11 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58718709 is sourced from PubChem (CID 58718709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).