CID 5489044

C4H8O — CID 5489044

IUPAC—
SMILES[CH2]CCC[O]
InChIInChI=1S/C4H8O/c1-2-3-4-5/h1-4H2
InChIKeyVDZBSBPJAJJLDG-UHFFFAOYSA-N
MW72.11 g/mol
LogP1.03
Rot. Bonds2

About CID 5489044

CID 5489044 (PubChem CID 5489044) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol.

Molecular Properties

Compound NameCID 5489044
PubChem CID5489044
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name—
SMILES[CH2]CCC[O]
InChIInChI=1S/C4H8O/c1-2-3-4-5/h1-4H2
InChIKeyVDZBSBPJAJJLDG-UHFFFAOYSA-N
XLogP1.03
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 5489044?
The IUPAC name of CID 5489044 (CID 5489044) is not available.
What is the SMILES notation for CID 5489044?
The canonical SMILES for CID 5489044 is [CH2]CCC[O].
What is the InChIKey of CID 5489044?
The InChIKey is VDZBSBPJAJJLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-2-3-4-5/h1-4H2.
What are the key properties of CID 5489044?
CID 5489044 has a molecular weight of 72.11 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5489044 is sourced from PubChem (CID 5489044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).