CID 59894625

C4H6O2 — CID 59894625

IUPAC—
SMILES[CH]OC(=O)CC
InChIInChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3
InChIKeyFFBJGOZMXZZTCQ-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.61
Rot. Bonds1

About CID 59894625

CID 59894625 (PubChem CID 59894625) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol.

Molecular Properties

Compound NameCID 59894625
PubChem CID59894625
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name—
SMILES[CH]OC(=O)CC
InChIInChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3
InChIKeyFFBJGOZMXZZTCQ-UHFFFAOYSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59894625?
The IUPAC name of CID 59894625 (CID 59894625) is not available.
What is the SMILES notation for CID 59894625?
The canonical SMILES for CID 59894625 is [CH]OC(=O)CC.
What is the InChIKey of CID 59894625?
The InChIKey is FFBJGOZMXZZTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3.
What are the key properties of CID 59894625?
CID 59894625 has a molecular weight of 86.09 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59894625 is sourced from PubChem (CID 59894625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).