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

C8H17O3P — CID 14892835

IUPAC5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane
SMILESCCCOP1OCC(C)(C)CO1
InChIInChI=1S/C8H17O3P/c1-4-5-9-12-10-6-8(2,3)7-11-12/h4-7H2,1-3H3
InChIKeyJFHYSHYZOXNEPX-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.71
Rot. Bonds3

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

5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane (PubChem CID 14892835) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane
PubChem CID14892835
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane
SMILESCCCOP1OCC(C)(C)CO1
InChIInChI=1S/C8H17O3P/c1-4-5-9-12-10-6-8(2,3)7-11-12/h4-7H2,1-3H3
InChIKeyJFHYSHYZOXNEPX-UHFFFAOYSA-N
XLogP2.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-chloro-5,5-dimethyl-
CID 75508
1,3,2-Dioxaphosphorinane, 5,5-dimethyl-, 2-oxide
CID 6335186
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-
CID 70500
1,3,2-Dioxaphosphorinane, 2-ethoxy-5,5-dimethyl-
CID 70512
1,3,2-Dioxaphosphorinane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxy))bis(5,5-dimethyl-
CID 101091
1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide
CID 414926
2-Chloro-2-thioxo-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 12607644
5,5-Dimethyl-1,3,2-dioxaphosphorinane
CID 12730249
2,5,5-Trimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13608487
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-diethoxy-
CID 81536
2-Chloro-5,5-dimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinane
CID 15621921
2-Chloro-2-oxy-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 87522037

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane?
The IUPAC name of 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane (CID 14892835) is 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane?
The canonical SMILES for 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane is CCCOP1OCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane?
The InChIKey is JFHYSHYZOXNEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-5-9-12-10-6-8(2,3)7-11-12/h4-7H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane?
5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane has a molecular weight of 192.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propoxy-1,3,2-dioxaphosphinane is sourced from PubChem (CID 14892835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).