CID 59677627

C5H8O2 — CID 59677627

IUPAC—
SMILES[CH]CC1COCO1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h1,5H,2-4H2
InChIKeyJDLBMZATIKWGSE-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.46
Rot. Bonds1

About CID 59677627

CID 59677627 (PubChem CID 59677627) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol.

Molecular Properties

Compound NameCID 59677627
PubChem CID59677627
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name—
SMILES[CH]CC1COCO1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h1,5H,2-4H2
InChIKeyJDLBMZATIKWGSE-UHFFFAOYSA-N
XLogP0.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59677627?
The IUPAC name of CID 59677627 (CID 59677627) is not available.
What is the SMILES notation for CID 59677627?
The canonical SMILES for CID 59677627 is [CH]CC1COCO1.
What is the InChIKey of CID 59677627?
The InChIKey is JDLBMZATIKWGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h1,5H,2-4H2.
What are the key properties of CID 59677627?
CID 59677627 has a molecular weight of 100.12 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59677627 is sourced from PubChem (CID 59677627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).