sodium;hydride;7-methyldecyl dihydrogen phosphate

C11H26NaO4P — CID 173332975

IUPACsodium;hydride;7-methyldecyl dihydrogen phosphate
SMILESCCCC(C)CCCCCCOP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C11H25O4P.Na.H/c1-3-8-11(2)9-6-4-5-7-10-15-16(12,13)14;;/h11H,3-10H2,1-2H3,(H2,12,13,14);;/q;+1;-1
InChIKeyBEWXVGZLCUIFMK-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.60
Rot. Bonds10

About sodium;hydride;7-methyldecyl dihydrogen phosphate

sodium;hydride;7-methyldecyl dihydrogen phosphate (PubChem CID 173332975) has the molecular formula C11H26NaO4P and a molecular weight of 276.29 g/mol. Its IUPAC name is sodium;hydride;7-methyldecyl dihydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;7-methyldecyl dihydrogen phosphate
PubChem CID173332975
Molecular FormulaC11H26NaO4P
Molecular Weight276.29 g/mol
Exact Mass276.15
IUPAC Namesodium;hydride;7-methyldecyl dihydrogen phosphate
SMILESCCCC(C)CCCCCCOP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C11H25O4P.Na.H/c1-3-8-11(2)9-6-4-5-7-10-15-16(12,13)14;;/h11H,3-10H2,1-2H3,(H2,12,13,14);;/q;+1;-1
InChIKeyBEWXVGZLCUIFMK-UHFFFAOYSA-N
XLogP0.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

7-methyldecyl dihydrogen phosphate
CID 19881894
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959
5-aminohexyl dihydrogen phosphate
CID 18767611
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
dodecyl dihydrogen phosphate;indigane
CID 173026750

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;7-methyldecyl dihydrogen phosphate?
The IUPAC name of sodium;hydride;7-methyldecyl dihydrogen phosphate (CID 173332975) is sodium;hydride;7-methyldecyl dihydrogen phosphate.
What is the SMILES notation for sodium;hydride;7-methyldecyl dihydrogen phosphate?
The canonical SMILES for sodium;hydride;7-methyldecyl dihydrogen phosphate is CCCC(C)CCCCCCOP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;7-methyldecyl dihydrogen phosphate?
The InChIKey is BEWXVGZLCUIFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P.Na.H/c1-3-8-11(2)9-6-4-5-7-10-15-16(12,13)14;;/h11H,3-10H2,1-2H3,(H2,12,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;7-methyldecyl dihydrogen phosphate?
sodium;hydride;7-methyldecyl dihydrogen phosphate has a molecular weight of 276.29 g/mol, XLogP of 0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;7-methyldecyl dihydrogen phosphate is sourced from PubChem (CID 173332975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).