cyclohexylmethylphosphonic acid;hydrate

C7H17O4P — CID 70153007

IUPACcyclohexylmethylphosphonic acid;hydrate
SMILESO.O=P(O)(O)CC1CCCCC1
InChIInChI=1S/C7H15O3P.H2O/c8-11(9,10)6-7-4-2-1-3-5-7;/h7H,1-6H2,(H2,8,9,10);1H2
InChIKeyRDTURZHLIBTDHG-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.92
Rot. Bonds2

About cyclohexylmethylphosphonic acid;hydrate

cyclohexylmethylphosphonic acid;hydrate (PubChem CID 70153007) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is cyclohexylmethylphosphonic acid;hydrate.

Molecular Properties

Compound Namecyclohexylmethylphosphonic acid;hydrate
PubChem CID70153007
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Namecyclohexylmethylphosphonic acid;hydrate
SMILESO.O=P(O)(O)CC1CCCCC1
InChIInChI=1S/C7H15O3P.H2O/c8-11(9,10)6-7-4-2-1-3-5-7;/h7H,1-6H2,(H2,8,9,10);1H2
InChIKeyRDTURZHLIBTDHG-UHFFFAOYSA-N
XLogP0.92
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethylphosphonic acid;hydrate?
The IUPAC name of cyclohexylmethylphosphonic acid;hydrate (CID 70153007) is cyclohexylmethylphosphonic acid;hydrate.
What is the SMILES notation for cyclohexylmethylphosphonic acid;hydrate?
The canonical SMILES for cyclohexylmethylphosphonic acid;hydrate is O.O=P(O)(O)CC1CCCCC1.
What is the InChIKey of cyclohexylmethylphosphonic acid;hydrate?
The InChIKey is RDTURZHLIBTDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P.H2O/c8-11(9,10)6-7-4-2-1-3-5-7;/h7H,1-6H2,(H2,8,9,10);1H2.
What are the key properties of cyclohexylmethylphosphonic acid;hydrate?
cyclohexylmethylphosphonic acid;hydrate has a molecular weight of 196.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylphosphonic acid;hydrate is sourced from PubChem (CID 70153007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).