CID 59101658

C5H10O — CID 59101658

IUPAC—
SMILESCC[C]COC
InChIInChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3
InChIKeyJIGIFQRBQAWJSE-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.12
Rot. Bonds3

About CID 59101658

CID 59101658 (PubChem CID 59101658) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol.

Molecular Properties

Compound NameCID 59101658
PubChem CID59101658
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name—
SMILESCC[C]COC
InChIInChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3
InChIKeyJIGIFQRBQAWJSE-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze CID 59101658 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59101658?
The IUPAC name of CID 59101658 (CID 59101658) is not available.
What is the SMILES notation for CID 59101658?
The canonical SMILES for CID 59101658 is CC[C]COC.
What is the InChIKey of CID 59101658?
The InChIKey is JIGIFQRBQAWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3.
What are the key properties of CID 59101658?
CID 59101658 has a molecular weight of 86.13 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59101658 is sourced from PubChem (CID 59101658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).