cyclohexyl(phosphonooxy)phosphinic acid;methane

C7H18O6P2 — CID 88826552

IUPACcyclohexyl(phosphonooxy)phosphinic acid;methane
SMILESC.O=P(O)(O)OP(=O)(O)C1CCCCC1
InChIInChI=1S/C6H14O6P2.CH4/c7-13(8,12-14(9,10)11)6-4-2-1-3-5-6;/h6H,1-5H2,(H,7,8)(H2,9,10,11);1H4
InChIKeyLQONHVKOZYJEPV-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.25
Rot. Bonds3

About cyclohexyl(phosphonooxy)phosphinic acid;methane

cyclohexyl(phosphonooxy)phosphinic acid;methane (PubChem CID 88826552) has the molecular formula C7H18O6P2 and a molecular weight of 260.16 g/mol. Its IUPAC name is cyclohexyl(phosphonooxy)phosphinic acid;methane.

Molecular Properties

Compound Namecyclohexyl(phosphonooxy)phosphinic acid;methane
PubChem CID88826552
Molecular FormulaC7H18O6P2
Molecular Weight260.16 g/mol
Exact Mass260.06
IUPAC Namecyclohexyl(phosphonooxy)phosphinic acid;methane
SMILESC.O=P(O)(O)OP(=O)(O)C1CCCCC1
InChIInChI=1S/C6H14O6P2.CH4/c7-13(8,12-14(9,10)11)6-4-2-1-3-5-6;/h6H,1-5H2,(H,7,8)(H2,9,10,11);1H4
InChIKeyLQONHVKOZYJEPV-UHFFFAOYSA-N
XLogP2.25
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(phosphonooxy)phosphinic acid;methane?
The IUPAC name of cyclohexyl(phosphonooxy)phosphinic acid;methane (CID 88826552) is cyclohexyl(phosphonooxy)phosphinic acid;methane.
What is the SMILES notation for cyclohexyl(phosphonooxy)phosphinic acid;methane?
The canonical SMILES for cyclohexyl(phosphonooxy)phosphinic acid;methane is C.O=P(O)(O)OP(=O)(O)C1CCCCC1.
What is the InChIKey of cyclohexyl(phosphonooxy)phosphinic acid;methane?
The InChIKey is LQONHVKOZYJEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6P2.CH4/c7-13(8,12-14(9,10)11)6-4-2-1-3-5-6;/h6H,1-5H2,(H,7,8)(H2,9,10,11);1H4.
What are the key properties of cyclohexyl(phosphonooxy)phosphinic acid;methane?
cyclohexyl(phosphonooxy)phosphinic acid;methane has a molecular weight of 260.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(phosphonooxy)phosphinic acid;methane is sourced from PubChem (CID 88826552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).