sodium;hydride;(2-octylphenyl) dihydrogen phosphate

C14H24NaO4P — CID 173327470

IUPACsodium;hydride;(2-octylphenyl) dihydrogen phosphate
SMILESCCCCCCCCc1ccccc1OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H23O4P.Na.H/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);;/q;+1;-1
InChIKeyVRFNFNSRDOFEAR-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.18
Rot. Bonds9

About sodium;hydride;(2-octylphenyl) dihydrogen phosphate

sodium;hydride;(2-octylphenyl) dihydrogen phosphate (PubChem CID 173327470) has the molecular formula C14H24NaO4P and a molecular weight of 310.31 g/mol. Its IUPAC name is sodium;hydride;(2-octylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;(2-octylphenyl) dihydrogen phosphate
PubChem CID173327470
Molecular FormulaC14H24NaO4P
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Namesodium;hydride;(2-octylphenyl) dihydrogen phosphate
SMILESCCCCCCCCc1ccccc1OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H23O4P.Na.H/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);;/q;+1;-1
InChIKeyVRFNFNSRDOFEAR-UHFFFAOYSA-N
XLogP1.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.18
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

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(2-nonylphenyl) dihydrogen phosphate
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bis(2-hexylphenyl) hydrogen phosphate
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(2-nonylphenyl) bis(2-octylphenyl) phosphate
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lithium (2-octylphenyl) phosphate
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dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
[2,3-bis(2-nonylphenyl)phenyl] dihydrogen phosphate
CID 18698880
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
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[2-(2-pentylnonyl)phenyl] dihydrogen phosphate
CID 150964075

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2-octylphenyl) dihydrogen phosphate?
The IUPAC name of sodium;hydride;(2-octylphenyl) dihydrogen phosphate (CID 173327470) is sodium;hydride;(2-octylphenyl) dihydrogen phosphate.
What is the SMILES notation for sodium;hydride;(2-octylphenyl) dihydrogen phosphate?
The canonical SMILES for sodium;hydride;(2-octylphenyl) dihydrogen phosphate is CCCCCCCCc1ccccc1OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2-octylphenyl) dihydrogen phosphate?
The InChIKey is VRFNFNSRDOFEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O4P.Na.H/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);;/q;+1;-1.
What are the key properties of sodium;hydride;(2-octylphenyl) dihydrogen phosphate?
sodium;hydride;(2-octylphenyl) dihydrogen phosphate has a molecular weight of 310.31 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2-octylphenyl) dihydrogen phosphate is sourced from PubChem (CID 173327470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).