cyclohexylmethyl dihydrogen phosphate

C7H15O4P — CID 14982025

IUPACcyclohexylmethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1CCCCC1
InChIInChI=1S/C7H15O4P/c8-12(9,10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,8,9,10)
InChIKeyQUZVAIKJPJZITE-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.68
Rot. Bonds3

About cyclohexylmethyl dihydrogen phosphate

cyclohexylmethyl dihydrogen phosphate (PubChem CID 14982025) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is cyclohexylmethyl dihydrogen phosphate.

Molecular Properties

Compound Namecyclohexylmethyl dihydrogen phosphate
PubChem CID14982025
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Namecyclohexylmethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1CCCCC1
InChIInChI=1S/C7H15O4P/c8-12(9,10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,8,9,10)
InChIKeyQUZVAIKJPJZITE-UHFFFAOYSA-N
XLogP1.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl dihydrogen phosphate?
The IUPAC name of cyclohexylmethyl dihydrogen phosphate (CID 14982025) is cyclohexylmethyl dihydrogen phosphate.
What is the SMILES notation for cyclohexylmethyl dihydrogen phosphate?
The canonical SMILES for cyclohexylmethyl dihydrogen phosphate is O=P(O)(O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl dihydrogen phosphate?
The InChIKey is QUZVAIKJPJZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c8-12(9,10)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,8,9,10).
What are the key properties of cyclohexylmethyl dihydrogen phosphate?
cyclohexylmethyl dihydrogen phosphate has a molecular weight of 194.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl dihydrogen phosphate is sourced from PubChem (CID 14982025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).