CID 140619571

C6H10O — CID 140619571

IUPAC—
SMILESC[CH]/C=C(/[O])CC
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b6-5+
InChIKeyFEWIGMWODIRUJM-AATRIKPKSA-N
MW98.14 g/mol
LogP1.93
Rot. Bonds2

About CID 140619571

CID 140619571 (PubChem CID 140619571) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol.

Molecular Properties

Compound NameCID 140619571
PubChem CID140619571
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name—
SMILESC[CH]/C=C(/[O])CC
InChIInChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b6-5+
InChIKeyFEWIGMWODIRUJM-AATRIKPKSA-N
XLogP1.93
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze CID 140619571 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 140619571?
The IUPAC name of CID 140619571 (CID 140619571) is not available.
What is the SMILES notation for CID 140619571?
The canonical SMILES for CID 140619571 is C[CH]/C=C(/[O])CC.
What is the InChIKey of CID 140619571?
The InChIKey is FEWIGMWODIRUJM-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b6-5+.
What are the key properties of CID 140619571?
CID 140619571 has a molecular weight of 98.14 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140619571 is sourced from PubChem (CID 140619571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).