CID 86733794

C8H19NaO3P — CID 86733794

IUPAC—
SMILESCCCCCCCCP(=O)(O)O.[Na]
InChIInChI=1S/C8H19O3P.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H2,9,10,11);
InChIKeyHEVYGFVJYOFLBL-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.14
Rot. Bonds7

About CID 86733794

CID 86733794 (PubChem CID 86733794) has the molecular formula C8H19NaO3P and a molecular weight of 217.20 g/mol.

Molecular Properties

Compound NameCID 86733794
PubChem CID86733794
Molecular FormulaC8H19NaO3P
Molecular Weight217.20 g/mol
Exact Mass217.10
IUPAC Name—
SMILESCCCCCCCCP(=O)(O)O.[Na]
InChIInChI=1S/C8H19O3P.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H2,9,10,11);
InChIKeyHEVYGFVJYOFLBL-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexylphosphonic acid;octylphosphonic acid
CID 155346901
dodecylphosphonic acid;phosphoric acid
CID 88779225
octadecylphosphonic acid;zirconium
CID 87308115
potassium;hexadecylphosphonic acid;hydride
CID 175356287
azane;pentylphosphonic acid
CID 173073704
butylphosphonic acid;neodymium
CID 134499527
5-phosphonopentylphosphonic acid
CID 2773804
potassium;butylphosphonic acid;hydride
CID 174388690
dimethyl-octadecyl-(12-phosphonododecyl)azanium bromide
CID 135367903
dodecane;phosphoric acid
CID 88801558
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973

Frequently Asked Questions

What is the IUPAC name of CID 86733794?
The IUPAC name of CID 86733794 (CID 86733794) is not available.
What is the SMILES notation for CID 86733794?
The canonical SMILES for CID 86733794 is CCCCCCCCP(=O)(O)O.[Na].
What is the InChIKey of CID 86733794?
The InChIKey is HEVYGFVJYOFLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3P.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H2,9,10,11);.
What are the key properties of CID 86733794?
CID 86733794 has a molecular weight of 217.20 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86733794 is sourced from PubChem (CID 86733794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).