CID 101086860

C4H9O2 — CID 101086860

IUPAC—
SMILESC[CH]OCOC
InChIInChI=1S/C4H9O2/c1-3-6-4-5-2/h3H,4H2,1-2H3
InChIKeyYEIZAAACMZIFEM-UHFFFAOYSA-N
MW89.11 g/mol
LogP0.79
Rot. Bonds3

About CID 101086860

CID 101086860 (PubChem CID 101086860) has the molecular formula C4H9O2 and a molecular weight of 89.11 g/mol.

Molecular Properties

Compound NameCID 101086860
PubChem CID101086860
Molecular FormulaC4H9O2
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name—
SMILESC[CH]OCOC
InChIInChI=1S/C4H9O2/c1-3-6-4-5-2/h3H,4H2,1-2H3
InChIKeyYEIZAAACMZIFEM-UHFFFAOYSA-N
XLogP0.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101086860?
The IUPAC name of CID 101086860 (CID 101086860) is not available.
What is the SMILES notation for CID 101086860?
The canonical SMILES for CID 101086860 is C[CH]OCOC.
What is the InChIKey of CID 101086860?
The InChIKey is YEIZAAACMZIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2/c1-3-6-4-5-2/h3H,4H2,1-2H3.
What are the key properties of CID 101086860?
CID 101086860 has a molecular weight of 89.11 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101086860 is sourced from PubChem (CID 101086860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).