CID 170839880

C4H15KO5P — CID 170839880

IUPAC—
SMILESCCCCO.O=P(O)(O)O.[H][H].[K]
InChIInChI=1S/C4H10O.K.H3O4P.H2/c1-2-3-4-5;;1-5(2,3)4;/h5H,2-4H2,1H3;;(H3,1,2,3,4);1H
InChIKeyIKYJEJJZLDNSKD-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.28
Rot. Bonds2

About CID 170839880

CID 170839880 (PubChem CID 170839880) has the molecular formula C4H15KO5P and a molecular weight of 213.23 g/mol.

Molecular Properties

Compound NameCID 170839880
PubChem CID170839880
Molecular FormulaC4H15KO5P
Molecular Weight213.23 g/mol
Exact Mass213.03
IUPAC Name—
SMILESCCCCO.O=P(O)(O)O.[H][H].[K]
InChIInChI=1S/C4H10O.K.H3O4P.H2/c1-2-3-4-5;;1-5(2,3)4;/h5H,2-4H2,1H3;;(H3,1,2,3,4);1H
InChIKeyIKYJEJJZLDNSKD-UHFFFAOYSA-N
XLogP-0.28
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 170839880 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 170839880?
The IUPAC name of CID 170839880 (CID 170839880) is not available.
What is the SMILES notation for CID 170839880?
The canonical SMILES for CID 170839880 is CCCCO.O=P(O)(O)O.[H][H].[K].
What is the InChIKey of CID 170839880?
The InChIKey is IKYJEJJZLDNSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.K.H3O4P.H2/c1-2-3-4-5;;1-5(2,3)4;/h5H,2-4H2,1H3;;(H3,1,2,3,4);1H.
What are the key properties of CID 170839880?
CID 170839880 has a molecular weight of 213.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170839880 is sourced from PubChem (CID 170839880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).