sodium;hydride;1-phenyldodecyl dihydrogen phosphate

C18H32NaO4P — CID 174145365

IUPACsodium;hydride;1-phenyldodecyl dihydrogen phosphate
SMILESCCCCCCCCCCCC(OP(=O)(O)O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C18H31O4P.Na.H/c1-2-3-4-5-6-7-8-9-13-16-18(22-23(19,20)21)17-14-11-10-12-15-17;;/h10-12,14-15,18H,2-9,13,16H2,1H3,(H2,19,20,21);;/q;+1;-1
InChIKeyHEXXCXRQVQQLOB-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.87
Rot. Bonds13

About sodium;hydride;1-phenyldodecyl dihydrogen phosphate

sodium;hydride;1-phenyldodecyl dihydrogen phosphate (PubChem CID 174145365) has the molecular formula C18H32NaO4P and a molecular weight of 366.41 g/mol. Its IUPAC name is sodium;hydride;1-phenyldodecyl dihydrogen phosphate.

Molecular Properties

Compound Namesodium;hydride;1-phenyldodecyl dihydrogen phosphate
PubChem CID174145365
Molecular FormulaC18H32NaO4P
Molecular Weight366.41 g/mol
Exact Mass366.19
IUPAC Namesodium;hydride;1-phenyldodecyl dihydrogen phosphate
SMILESCCCCCCCCCCCC(OP(=O)(O)O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C18H31O4P.Na.H/c1-2-3-4-5-6-7-8-9-13-16-18(22-23(19,20)21)17-14-11-10-12-15-17;;/h10-12,14-15,18H,2-9,13,16H2,1H3,(H2,19,20,21);;/q;+1;-1
InChIKeyHEXXCXRQVQQLOB-UHFFFAOYSA-N
XLogP2.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.87
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

tris(1-phenylhexyl) phosphate
CID 69250581
1-phenyldodecoxy dihydrogen phosphate
CID 170335090
1,1-diphenyldecan-3-yl dihydrogen phosphate
CID 141070435
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
bis(1-phenyloctyl) carbonate
CID 67179048
1-phenoxydecan-2-yl dihydrogen phosphate
CID 122612592
1-(4-hexylphenyl)hexyl phenyl hydrogen phosphate
CID 90869742
1-phenylhexyl benzoate
CID 57263824
1-ethoxydecylbenzene
CID 71423896
1-phenylnonyl formate
CID 174585088
1-phenyldodecyl formate
CID 91598065
1-phenylheptyl formate
CID 174746901

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-phenyldodecyl dihydrogen phosphate?
The IUPAC name of sodium;hydride;1-phenyldodecyl dihydrogen phosphate (CID 174145365) is sodium;hydride;1-phenyldodecyl dihydrogen phosphate.
What is the SMILES notation for sodium;hydride;1-phenyldodecyl dihydrogen phosphate?
The canonical SMILES for sodium;hydride;1-phenyldodecyl dihydrogen phosphate is CCCCCCCCCCCC(OP(=O)(O)O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-phenyldodecyl dihydrogen phosphate?
The InChIKey is HEXXCXRQVQQLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31O4P.Na.H/c1-2-3-4-5-6-7-8-9-13-16-18(22-23(19,20)21)17-14-11-10-12-15-17;;/h10-12,14-15,18H,2-9,13,16H2,1H3,(H2,19,20,21);;/q;+1;-1.
What are the key properties of sodium;hydride;1-phenyldodecyl dihydrogen phosphate?
sodium;hydride;1-phenyldodecyl dihydrogen phosphate has a molecular weight of 366.41 g/mol, XLogP of 2.87, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-phenyldodecyl dihydrogen phosphate is sourced from PubChem (CID 174145365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).