(1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate

C14H24O7P2 — CID 10287016

IUPAC(1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate
SMILESCOP(=O)(OC)OC(C(C)(C)c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24O7P2/c1-14(2,12-10-8-7-9-11-12)13(22(15,17-3)18-4)21-23(16,19-5)20-6/h7-11,13H,1-6H3
InChIKeyYVOWYJDQJSPUTA-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.19
Rot. Bonds9

About (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate

(1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate (PubChem CID 10287016) has the molecular formula C14H24O7P2 and a molecular weight of 366.29 g/mol. Its IUPAC name is (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate.

Molecular Properties

Compound Name(1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate
PubChem CID10287016
Molecular FormulaC14H24O7P2
Molecular Weight366.29 g/mol
Exact Mass366.10
IUPAC Name(1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate
SMILESCOP(=O)(OC)OC(C(C)(C)c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24O7P2/c1-14(2,12-10-8-7-9-11-12)13(22(15,17-3)18-4)21-23(16,19-5)20-6/h7-11,13H,1-6H3
InChIKeyYVOWYJDQJSPUTA-UHFFFAOYSA-N
XLogP4.19
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate?
The IUPAC name of (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate (CID 10287016) is (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate.
What is the SMILES notation for (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate?
The canonical SMILES for (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate is COP(=O)(OC)OC(C(C)(C)c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate?
The InChIKey is YVOWYJDQJSPUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O7P2/c1-14(2,12-10-8-7-9-11-12)13(22(15,17-3)18-4)21-23(16,19-5)20-6/h7-11,13H,1-6H3.
What are the key properties of (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate?
(1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate has a molecular weight of 366.29 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethoxyphosphoryl-2-methyl-2-phenylpropyl) dimethyl phosphate is sourced from PubChem (CID 10287016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).