CID 57418780

C4H5O2 — CID 57418780

IUPAC—
SMILES[O]C1=CCCO1
InChIInChI=1S/C4H5O2/c5-4-2-1-3-6-4/h2H,1,3H2
InChIKeyTVEBYTMTHYESEU-UHFFFAOYSA-N
MW85.08 g/mol
LogP0.68
Rot. Bonds

About CID 57418780

CID 57418780 (PubChem CID 57418780) has the molecular formula C4H5O2 and a molecular weight of 85.08 g/mol.

Molecular Properties

Compound NameCID 57418780
PubChem CID57418780
Molecular FormulaC4H5O2
Molecular Weight85.08 g/mol
Exact Mass85.03
IUPAC Name—
SMILES[O]C1=CCCO1
InChIInChI=1S/C4H5O2/c5-4-2-1-3-6-4/h2H,1,3H2
InChIKeyTVEBYTMTHYESEU-UHFFFAOYSA-N
XLogP0.68
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.08
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 57418780?
The IUPAC name of CID 57418780 (CID 57418780) is not available.
What is the SMILES notation for CID 57418780?
The canonical SMILES for CID 57418780 is [O]C1=CCCO1.
What is the InChIKey of CID 57418780?
The InChIKey is TVEBYTMTHYESEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5O2/c5-4-2-1-3-6-4/h2H,1,3H2.
What are the key properties of CID 57418780?
CID 57418780 has a molecular weight of 85.08 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57418780 is sourced from PubChem (CID 57418780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).