CID 58749915

C4H6O2 — CID 58749915

IUPAC—
SMILES[CH]OCCO[CH]
InChIInChI=1S/C4H6O2/c1-5-3-4-6-2/h1-2H,3-4H2
InChIKeyFXHNMNMRSCOLIB-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.36
Rot. Bonds3

About CID 58749915

CID 58749915 (PubChem CID 58749915) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol.

Molecular Properties

Compound NameCID 58749915
PubChem CID58749915
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name—
SMILES[CH]OCCO[CH]
InChIInChI=1S/C4H6O2/c1-5-3-4-6-2/h1-2H,3-4H2
InChIKeyFXHNMNMRSCOLIB-UHFFFAOYSA-N
XLogP0.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.36
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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Related Compounds

1,2-Dimethoxyethane
CID 8071
Glyme (1,2-dimethoxyethane-d10)
CID 117065518
Methoxy-ethoxyl
CID 5162451
1-Methoxy-2-methoxyethane
CID 53627526
1-Ethoxy-2-methanidyloxyethane
CID 169043179
CID 91666461
CID 91666461
1,2-Di(methoxy)ethane
CID 112499903
CID 5484050
CID 5484050
1,2-Diethynoxyethane
CID 13432145
2-(2-Oxidoethoxy)ethanolate
CID 57773953
CID 58544122
CID 58544122
CID 58718709
CID 58718709

Frequently Asked Questions

What is the IUPAC name of CID 58749915?
The IUPAC name of CID 58749915 (CID 58749915) is not available.
What is the SMILES notation for CID 58749915?
The canonical SMILES for CID 58749915 is [CH]OCCO[CH].
What is the InChIKey of CID 58749915?
The InChIKey is FXHNMNMRSCOLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-5-3-4-6-2/h1-2H,3-4H2.
What are the key properties of CID 58749915?
CID 58749915 has a molecular weight of 86.09 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58749915 is sourced from PubChem (CID 58749915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).