CID 102072364

C4H7O2 — CID 102072364

IUPAC—
SMILESO[C]1CCOC1
InChIInChI=1S/C4H7O2/c5-4-1-2-6-3-4/h5H,1-3H2
InChIKeyPISBKQRTASXUAZ-UHFFFAOYSA-N
MW87.10 g/mol
LogP0.31
Rot. Bonds

About CID 102072364

CID 102072364 (PubChem CID 102072364) has the molecular formula C4H7O2 and a molecular weight of 87.10 g/mol.

Molecular Properties

Compound NameCID 102072364
PubChem CID102072364
Molecular FormulaC4H7O2
Molecular Weight87.10 g/mol
Exact Mass87.04
IUPAC Name—
SMILESO[C]1CCOC1
InChIInChI=1S/C4H7O2/c5-4-1-2-6-3-4/h5H,1-3H2
InChIKeyPISBKQRTASXUAZ-UHFFFAOYSA-N
XLogP0.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 102072364?
The IUPAC name of CID 102072364 (CID 102072364) is not available.
What is the SMILES notation for CID 102072364?
The canonical SMILES for CID 102072364 is O[C]1CCOC1.
What is the InChIKey of CID 102072364?
The InChIKey is PISBKQRTASXUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2/c5-4-1-2-6-3-4/h5H,1-3H2.
What are the key properties of CID 102072364?
CID 102072364 has a molecular weight of 87.10 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102072364 is sourced from PubChem (CID 102072364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).