(2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol

C7H13Cl2O4P — CID 88728118

IUPAC(2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol
SMILESCOP(=O)(OC)C(O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C7H13Cl2O4P/c1-6(4-7(6,8)9)5(10)14(11,12-2)13-3/h5,10H,4H2,1-3H3
InChIKeyJMSQUVJVKPNSHS-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.37
Rot. Bonds4

About (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol

(2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol (PubChem CID 88728118) has the molecular formula C7H13Cl2O4P and a molecular weight of 263.06 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol
PubChem CID88728118
Molecular FormulaC7H13Cl2O4P
Molecular Weight263.06 g/mol
Exact Mass261.99
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol
SMILESCOP(=O)(OC)C(O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C7H13Cl2O4P/c1-6(4-7(6,8)9)5(10)14(11,12-2)13-3/h5,10H,4H2,1-3H3
InChIKeyJMSQUVJVKPNSHS-UHFFFAOYSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol (CID 88728118) is (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol is COP(=O)(OC)C(O)C1(C)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol?
The InChIKey is JMSQUVJVKPNSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2O4P/c1-6(4-7(6,8)9)5(10)14(11,12-2)13-3/h5,10H,4H2,1-3H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol?
(2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol has a molecular weight of 263.06 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-dimethoxyphosphorylmethanol is sourced from PubChem (CID 88728118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).