cyclohexyl nonyl hydrogen phosphate

C15H31O4P — CID 163645473

IUPACcyclohexyl nonyl hydrogen phosphate
SMILESCCCCCCCCCOP(=O)(O)OC1CCCCC1
InChIInChI=1S/C15H31O4P/c1-2-3-4-5-6-7-11-14-18-20(16,17)19-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H,16,17)
InChIKeyIHVULMRJYKMPHQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP5.20
Rot. Bonds11

About cyclohexyl nonyl hydrogen phosphate

cyclohexyl nonyl hydrogen phosphate (PubChem CID 163645473) has the molecular formula C15H31O4P and a molecular weight of 306.38 g/mol. Its IUPAC name is cyclohexyl nonyl hydrogen phosphate.

Molecular Properties

Compound Namecyclohexyl nonyl hydrogen phosphate
PubChem CID163645473
Molecular FormulaC15H31O4P
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC Namecyclohexyl nonyl hydrogen phosphate
SMILESCCCCCCCCCOP(=O)(O)OC1CCCCC1
InChIInChI=1S/C15H31O4P/c1-2-3-4-5-6-7-11-14-18-20(16,17)19-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H,16,17)
InChIKeyIHVULMRJYKMPHQ-UHFFFAOYSA-N
XLogP5.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.38
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1-ethyl-1-methylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
CID 45268816
octadecyl (1-propylpiperidin-4-yl) hydrogen phosphate
CID 143491119
cyclohexyl decyl phosphate
CID 23362679
(1,1-dimethylazepan-1-ium-4-yl) [(Z)-docos-13-enyl] hydrogen phosphate
CID 58922550
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
cyclohexyloxy(dodecyl)phosphinic acid
CID 174792280
dioctyl hydrogen phosphate;zinc
CID 20743274
didodecyl hydrogen phosphate;nickel
CID 87136164
decyl propyl hydrogen phosphate
CID 87587050
butyl heptyl hydrogen phosphate
CID 86151412

Frequently Asked Questions

What is the IUPAC name of cyclohexyl nonyl hydrogen phosphate?
The IUPAC name of cyclohexyl nonyl hydrogen phosphate (CID 163645473) is cyclohexyl nonyl hydrogen phosphate.
What is the SMILES notation for cyclohexyl nonyl hydrogen phosphate?
The canonical SMILES for cyclohexyl nonyl hydrogen phosphate is CCCCCCCCCOP(=O)(O)OC1CCCCC1.
What is the InChIKey of cyclohexyl nonyl hydrogen phosphate?
The InChIKey is IHVULMRJYKMPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O4P/c1-2-3-4-5-6-7-11-14-18-20(16,17)19-15-12-9-8-10-13-15/h15H,2-14H2,1H3,(H,16,17).
What are the key properties of cyclohexyl nonyl hydrogen phosphate?
cyclohexyl nonyl hydrogen phosphate has a molecular weight of 306.38 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl nonyl hydrogen phosphate is sourced from PubChem (CID 163645473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).