(2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate

C5H9Cl2O5P — CID 172773747

IUPAC(2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate
SMILESCOOP(=O)(O)OCC1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2O5P/c1-10-12-13(8,9)11-3-4-2-5(4,6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyNHPVFVMWSCWJDN-UHFFFAOYSA-N
MW251.00 g/mol
LogP1.88
Rot. Bonds5

About (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate

(2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate (PubChem CID 172773747) has the molecular formula C5H9Cl2O5P and a molecular weight of 251.00 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate
PubChem CID172773747
Molecular FormulaC5H9Cl2O5P
Molecular Weight251.00 g/mol
Exact Mass249.96
IUPAC Name(2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate
SMILESCOOP(=O)(O)OCC1CC1(Cl)Cl
InChIInChI=1S/C5H9Cl2O5P/c1-10-12-13(8,9)11-3-4-2-5(4,6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyNHPVFVMWSCWJDN-UHFFFAOYSA-N
XLogP1.88
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.00
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2,2-Dichlorocyclopropyl)methyl dimethyl phosphate
CID 15890130
(2,2-Dichloro-1-methylcyclopropyl)methyl dihydrogen phosphate
CID 20565392
(2,2-Dichlorocyclopropyl)methyl dihydrogen phosphate
CID 20565398
(2,2-Dichlorocyclopropyl)methoxy-hydroxy-methylperoxy-sulfanylidene-lambda5-phosphane
CID 172730744
(2,2-Dichloro-1-methylcyclopropyl)methyl methoxy hydrogen phosphate
CID 172756407

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate?
The IUPAC name of (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate (CID 172773747) is (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate.
What is the SMILES notation for (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate?
The canonical SMILES for (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate is COOP(=O)(O)OCC1CC1(Cl)Cl.
What is the InChIKey of (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate?
The InChIKey is NHPVFVMWSCWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O5P/c1-10-12-13(8,9)11-3-4-2-5(4,6)7/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate?
(2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate has a molecular weight of 251.00 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)methyl methoxy hydrogen phosphate is sourced from PubChem (CID 172773747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).