CID 174977066

C4H10KO4P — CID 174977066

IUPAC—
SMILESO=P[O-].OCCCCO.[K+]
InChIInChI=1S/C4H10O2.K.HO2P/c5-3-1-2-4-6;;1-3-2/h5-6H,1-4H2;;(H,1,2)/q;+1;/p-1
InChIKeyUKWUCGQMQDJBNJ-UHFFFAOYSA-M
MW192.19 g/mol
LogP-3.69
Rot. Bonds3

About CID 174977066

CID 174977066 (PubChem CID 174977066) has the molecular formula C4H10KO4P and a molecular weight of 192.19 g/mol.

Molecular Properties

Compound NameCID 174977066
PubChem CID174977066
Molecular FormulaC4H10KO4P
Molecular Weight192.19 g/mol
Exact Mass192.00
IUPAC Name—
SMILESO=P[O-].OCCCCO.[K+]
InChIInChI=1S/C4H10O2.K.HO2P/c5-3-1-2-4-6;;1-3-2/h5-6H,1-4H2;;(H,1,2)/q;+1;/p-1
InChIKeyUKWUCGQMQDJBNJ-UHFFFAOYSA-M
XLogP-3.69
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-3.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 174977066 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 174960929
CID 174960929
butane-1,4-diol;phosphenous acid
CID 174402363
CID 175111542
CID 175111542
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
tricosane-1,23-diol
CID 25144332
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
CID 157146691
CID 157146691
butane-1,4-diol;zinc
CID 170696072
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of CID 174977066?
The IUPAC name of CID 174977066 (CID 174977066) is not available.
What is the SMILES notation for CID 174977066?
The canonical SMILES for CID 174977066 is O=P[O-].OCCCCO.[K+].
What is the InChIKey of CID 174977066?
The InChIKey is UKWUCGQMQDJBNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2.K.HO2P/c5-3-1-2-4-6;;1-3-2/h5-6H,1-4H2;;(H,1,2)/q;+1;/p-1.
What are the key properties of CID 174977066?
CID 174977066 has a molecular weight of 192.19 g/mol, XLogP of -3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174977066 is sourced from PubChem (CID 174977066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).