CID 131873404

C8H19NaO4P — CID 131873404

IUPAC—
SMILESCC(C)(C)OP(=O)(O)OC(C)(C)C.[Na]
InChIInChI=1S/C8H19O4P.Na/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);
InChIKeyLVKUOWIKMJACRB-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.34
Rot. Bonds2

About CID 131873404

CID 131873404 (PubChem CID 131873404) has the molecular formula C8H19NaO4P and a molecular weight of 233.20 g/mol.

Molecular Properties

Compound NameCID 131873404
PubChem CID131873404
Molecular FormulaC8H19NaO4P
Molecular Weight233.20 g/mol
Exact Mass233.09
IUPAC Name—
SMILESCC(C)(C)OP(=O)(O)OC(C)(C)C.[Na]
InChIInChI=1S/C8H19O4P.Na/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);
InChIKeyLVKUOWIKMJACRB-UHFFFAOYSA-N
XLogP2.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 131873404 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

tert-butyl methoxy hydrogen phosphate
CID 172731458
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-(2-methylpropyl)phosphinic acid
CID 158213950
tert-butyl ethynyl hydrogen phosphate
CID 175106066
ditert-butyl hydrogen phosphate;tetrabutylazanium
CID 86222702
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
tert-butyl [hydroxy-[hydroxy(propan-2-yloxy)phosphoryl]oxyphosphoryl] hydrogen phosphate
CID 129302859
ethyl-[(2-methylpropan-2-yl)oxy]phosphinic acid
CID 139581745
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
CID 159230701
ditert-butyl [hydroxy(phosphonooxy)phosphoryl] phosphate;neodymium
CID 87733443
chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
CID 150961079
tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 165033493
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl hydrogen phosphate
CID 158973567

Frequently Asked Questions

What is the IUPAC name of CID 131873404?
The IUPAC name of CID 131873404 (CID 131873404) is not available.
What is the SMILES notation for CID 131873404?
The canonical SMILES for CID 131873404 is CC(C)(C)OP(=O)(O)OC(C)(C)C.[Na].
What is the InChIKey of CID 131873404?
The InChIKey is LVKUOWIKMJACRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.Na/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);.
What are the key properties of CID 131873404?
CID 131873404 has a molecular weight of 233.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131873404 is sourced from PubChem (CID 131873404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).