CID 158223204

C8H16NNa2O4P — CID 158223204

IUPAC—
SMILESCC(=O)NP(=O)(O)OC1CCCCC1.[Na].[Na]
InChIInChI=1S/C8H16NO4P.2Na/c1-7(10)9-14(11,12)13-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3,(H2,9,10,11,12);;
InChIKeyGDMMBDCGNCWHMF-UHFFFAOYSA-N
MW267.17 g/mol
LogP0.81
Rot. Bonds3

About CID 158223204

CID 158223204 (PubChem CID 158223204) has the molecular formula C8H16NNa2O4P and a molecular weight of 267.17 g/mol.

Molecular Properties

Compound NameCID 158223204
PubChem CID158223204
Molecular FormulaC8H16NNa2O4P
Molecular Weight267.17 g/mol
Exact Mass267.06
IUPAC Name—
SMILESCC(=O)NP(=O)(O)OC1CCCCC1.[Na].[Na]
InChIInChI=1S/C8H16NO4P.2Na/c1-7(10)9-14(11,12)13-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3,(H2,9,10,11,12);;
InChIKeyGDMMBDCGNCWHMF-UHFFFAOYSA-N
XLogP0.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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dicyclononyl carbonate
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tricyclooctyl phosphate
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azanide;cyclohexyloxy-[[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphinic acid;platinum(2+)
CID 58140306
[fluoro(methyl)phosphoryl]oxycyclohexane
CID 14366907
N'-cyclohexyloxyacetohydrazide
CID 3028707
cycloheptadecyl acetate
CID 57215828
[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
CID 91239957
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
cyclohexyloxycarbonylphosphonic acid
CID 512087
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096

Frequently Asked Questions

What is the IUPAC name of CID 158223204?
The IUPAC name of CID 158223204 (CID 158223204) is not available.
What is the SMILES notation for CID 158223204?
The canonical SMILES for CID 158223204 is CC(=O)NP(=O)(O)OC1CCCCC1.[Na].[Na].
What is the InChIKey of CID 158223204?
The InChIKey is GDMMBDCGNCWHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO4P.2Na/c1-7(10)9-14(11,12)13-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3,(H2,9,10,11,12);;.
What are the key properties of CID 158223204?
CID 158223204 has a molecular weight of 267.17 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158223204 is sourced from PubChem (CID 158223204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).