CID 146959366

C4H7OY- — CID 146959366

IUPAC—
SMILESCC1(C)[CH-]O1.[Y]
InChIInChI=1S/C4H7O.Y/c1-4(2)3-5-4;/h3H,1-2H3;/q-1;
InChIKeyKEXCYSNRHRTBIS-UHFFFAOYSA-N
MW160.00 g/mol
LogP0.95
Rot. Bonds

About CID 146959366

CID 146959366 (PubChem CID 146959366) has the molecular formula C4H7OY- and a molecular weight of 160.00 g/mol.

Molecular Properties

Compound NameCID 146959366
PubChem CID146959366
Molecular FormulaC4H7OY-
Molecular Weight160.00 g/mol
Exact Mass159.96
IUPAC Name—
SMILESCC1(C)[CH-]O1.[Y]
InChIInChI=1S/C4H7O.Y/c1-4(2)3-5-4;/h3H,1-2H3;/q-1;
InChIKeyKEXCYSNRHRTBIS-UHFFFAOYSA-N
XLogP0.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.00
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze CID 146959366 with MolForge

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

Launch Full Analysis

Related Compounds

CID 58239535
CID 58239535
2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9-pentaoxecane
CID 160795972
3,3,6,6-tetramethyl-1,2,4,5-tetraoxane
CID 536100
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233
fluoromethane;yttrium;hydrate
CID 20604871
1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,7,7,8,8-octamethyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonan-5-yl)propan-2-ol
CID 23417059
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
CID 23565911
2,2,3-trifluoro-3-methyloxirane
CID 22289961
3-methyl-2,4-dioxabicyclo[1.1.0]butan-1-ol
CID 173021166
(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7-dioxatetracyclo[3.3.0.02,4.06,8]octane
CID 98515393
4-methyl-3-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridine
CID 57416520
1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride
CID 69033861

Frequently Asked Questions

What is the IUPAC name of CID 146959366?
The IUPAC name of CID 146959366 (CID 146959366) is not available.
What is the SMILES notation for CID 146959366?
The canonical SMILES for CID 146959366 is CC1(C)[CH-]O1.[Y].
What is the InChIKey of CID 146959366?
The InChIKey is KEXCYSNRHRTBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.Y/c1-4(2)3-5-4;/h3H,1-2H3;/q-1;.
What are the key properties of CID 146959366?
CID 146959366 has a molecular weight of 160.00 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146959366 is sourced from PubChem (CID 146959366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).