5,5-dimethyl-1,3,2-dioxaphosphinane

C5H11O2P — CID 12730249

IUPAC5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COPOC1
InChIInChI=1S/C5H11O2P/c1-5(2)3-6-8-7-4-5/h8H,3-4H2,1-2H3
InChIKeyMTANQWXSMWFCNJ-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.57
Rot. Bonds

About 5,5-dimethyl-1,3,2-dioxaphosphinane

5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 12730249) has the molecular formula C5H11O2P and a molecular weight of 134.12 g/mol. Its IUPAC name is 5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID12730249
Molecular FormulaC5H11O2P
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COPOC1
InChIInChI=1S/C5H11O2P/c1-5(2)3-6-8-7-4-5/h8H,3-4H2,1-2H3
InChIKeyMTANQWXSMWFCNJ-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 5,5-dimethyl-1,3,2-dioxaphosphinane (CID 12730249) is 5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 5,5-dimethyl-1,3,2-dioxaphosphinane is CC1(C)COPOC1.
What is the InChIKey of 5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is MTANQWXSMWFCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2P/c1-5(2)3-6-8-7-4-5/h8H,3-4H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,3,2-dioxaphosphinane?
5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 134.12 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 12730249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).