2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C10H20O6P2 — CID 549736

IUPAC2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(P2(=O)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O6P2/c1-9(2)5-13-17(11,14-6-9)18(12)15-7-10(3,4)8-16-18/h5-8H2,1-4H3
InChIKeyPFWQHDSRFLRDDN-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.43
Rot. Bonds1

About 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 549736) has the molecular formula C10H20O6P2 and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID549736
Molecular FormulaC10H20O6P2
Molecular Weight298.21 g/mol
Exact Mass298.07
IUPAC Name2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(P2(=O)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O6P2/c1-9(2)5-13-17(11,14-6-9)18(12)15-7-10(3,4)8-16-18/h5-8H2,1-4H3
InChIKeyPFWQHDSRFLRDDN-UHFFFAOYSA-N
XLogP3.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.43
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 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 549736) is 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(P2(=O)OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is PFWQHDSRFLRDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6P2/c1-9(2)5-13-17(11,14-6-9)18(12)15-7-10(3,4)8-16-18/h5-8H2,1-4H3.
What are the key properties of 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 298.21 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 549736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).