5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide

C8H18O6P2 — CID 54537226

IUPAC5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide
SMILESCOP1(=O)OC(P(=O)(OC)OC)C(C)C1C
InChIInChI=1S/C8H18O6P2/c1-6-7(2)15(9,11-3)14-8(6)16(10,12-4)13-5/h6-8H,1-5H3
InChIKeyZAQCIECRMJNXNZ-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.69
Rot. Bonds4

About 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide

5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide (PubChem CID 54537226) has the molecular formula C8H18O6P2 and a molecular weight of 272.17 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide
PubChem CID54537226
Molecular FormulaC8H18O6P2
Molecular Weight272.17 g/mol
Exact Mass272.06
IUPAC Name5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide
SMILESCOP1(=O)OC(P(=O)(OC)OC)C(C)C1C
InChIInChI=1S/C8H18O6P2/c1-6-7(2)15(9,11-3)14-8(6)16(10,12-4)13-5/h6-8H,1-5H3
InChIKeyZAQCIECRMJNXNZ-UHFFFAOYSA-N
XLogP2.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
The IUPAC name of 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide (CID 54537226) is 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide.
What is the SMILES notation for 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
The canonical SMILES for 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide is COP1(=O)OC(P(=O)(OC)OC)C(C)C1C.
What is the InChIKey of 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
The InChIKey is ZAQCIECRMJNXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6P2/c1-6-7(2)15(9,11-3)14-8(6)16(10,12-4)13-5/h6-8H,1-5H3.
What are the key properties of 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide?
5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide has a molecular weight of 272.17 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-2-methoxy-3,4-dimethyl-1,2λ5-oxaphospholane 2-oxide is sourced from PubChem (CID 54537226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).