2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C6H13O4P — CID 14759819

IUPAC2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCOP1(=O)OCCC(C)(C)O1
InChIInChI=1S/C6H13O4P/c1-6(2)4-5-9-11(7,8-3)10-6/h4-5H2,1-3H3
InChIKeyNRBYLHCNBAKIBM-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.96
Rot. Bonds1

About 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 14759819) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID14759819
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCOP1(=O)OCCC(C)(C)O1
InChIInChI=1S/C6H13O4P/c1-6(2)4-5-9-11(7,8-3)10-6/h4-5H2,1-3H3
InChIKeyNRBYLHCNBAKIBM-UHFFFAOYSA-N
XLogP1.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 14759819) is 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is COP1(=O)OCCC(C)(C)O1.
What is the InChIKey of 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is NRBYLHCNBAKIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-6(2)4-5-9-11(7,8-3)10-6/h4-5H2,1-3H3.
What are the key properties of 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 180.14 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 14759819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).