CID 57417391

C4H9O — CID 57417391

IUPAC—
SMILESC[CH]COC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h3H,4H2,1-2H3
InChIKeyXOOUATGPZSTNDO-UHFFFAOYSA-N
MW73.11 g/mol
LogP0.86
Rot. Bonds2

About CID 57417391

CID 57417391 (PubChem CID 57417391) has the molecular formula C4H9O and a molecular weight of 73.11 g/mol.

Molecular Properties

Compound NameCID 57417391
PubChem CID57417391
Molecular FormulaC4H9O
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name—
SMILESC[CH]COC
InChIInChI=1S/C4H9O/c1-3-4-5-2/h3H,4H2,1-2H3
InChIKeyXOOUATGPZSTNDO-UHFFFAOYSA-N
XLogP0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 57417391?
The IUPAC name of CID 57417391 (CID 57417391) is not available.
What is the SMILES notation for CID 57417391?
The canonical SMILES for CID 57417391 is C[CH]COC.
What is the InChIKey of CID 57417391?
The InChIKey is XOOUATGPZSTNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-3-4-5-2/h3H,4H2,1-2H3.
What are the key properties of CID 57417391?
CID 57417391 has a molecular weight of 73.11 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57417391 is sourced from PubChem (CID 57417391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).