CID 91461408

C4H10O — CID 91461408

IUPAC—
SMILESC=[O+][CH2-].CC
InChIInChI=1S/C2H4O.C2H6/c1-3-2;1-2/h1-2H2;1-2H3
InChIKeyQIBJBZFQPNETFS-UHFFFAOYSA-N
MW74.12 g/mol
LogP1.17
Rot. Bonds

About CID 91461408

CID 91461408 (PubChem CID 91461408) has the molecular formula C4H10O and a molecular weight of 74.12 g/mol.

Molecular Properties

Compound NameCID 91461408
PubChem CID91461408
Molecular FormulaC4H10O
Molecular Weight74.12 g/mol
Exact Mass74.07
IUPAC Name—
SMILESC=[O+][CH2-].CC
InChIInChI=1S/C2H4O.C2H6/c1-3-2;1-2/h1-2H2;1-2H3
InChIKeyQIBJBZFQPNETFS-UHFFFAOYSA-N
XLogP1.17
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91461408?
The IUPAC name of CID 91461408 (CID 91461408) is not available.
What is the SMILES notation for CID 91461408?
The canonical SMILES for CID 91461408 is C=[O+][CH2-].CC.
What is the InChIKey of CID 91461408?
The InChIKey is QIBJBZFQPNETFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.C2H6/c1-3-2;1-2/h1-2H2;1-2H3.
What are the key properties of CID 91461408?
CID 91461408 has a molecular weight of 74.12 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91461408 is sourced from PubChem (CID 91461408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).