4-methyl-2-propoxy-1,3,2-dioxaphosphinane

C7H15O3P — CID 91988865

IUPAC4-methyl-2-propoxy-1,3,2-dioxaphosphinane
SMILESCCCOP1OCCC(C)O1
InChIInChI=1S/C7H15O3P/c1-3-5-8-11-9-6-4-7(2)10-11/h7H,3-6H2,1-2H3
InChIKeyOWCUMGXGAZGUBB-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-2-propoxy-1,3,2-dioxaphosphinane

4-methyl-2-propoxy-1,3,2-dioxaphosphinane (PubChem CID 91988865) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-methyl-2-propoxy-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name4-methyl-2-propoxy-1,3,2-dioxaphosphinane
PubChem CID91988865
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name4-methyl-2-propoxy-1,3,2-dioxaphosphinane
SMILESCCCOP1OCCC(C)O1
InChIInChI=1S/C7H15O3P/c1-3-5-8-11-9-6-4-7(2)10-11/h7H,3-6H2,1-2H3
InChIKeyOWCUMGXGAZGUBB-UHFFFAOYSA-N
XLogP2.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.47
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-4-methyl-
CID 138736
1,3,2-Dioxaphosphorinane, 2-methoxy-
CID 141621
Phosphorochloridic acid, cyclic 1,3-dimethyltrimethylene ester
CID 112009
2-Methoxy-4-methyl-1,3,2-dioxaphosphorinane
CID 141852
2-Ethoxy-1,3,2-dioxaphosphinane
CID 13143342
4-Methyl-1,3,2-dioxaphosphorinane
CID 16694820
2-Methoxy-4,6-dimethyl-1,3,2-dioxaphosphinane
CID 139069
2,4-Dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 12545028
2-Fluoro-4-methyl-1,3,2-dioxaphosphinane
CID 12730251
2,4,6-Trimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 23418652
2,4-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 132073990
(2R*,4S*)-2,4-Dimethyl-[1,3,2]dioxaphosphinane 2-oxide
CID 12545030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propoxy-1,3,2-dioxaphosphinane?
The IUPAC name of 4-methyl-2-propoxy-1,3,2-dioxaphosphinane (CID 91988865) is 4-methyl-2-propoxy-1,3,2-dioxaphosphinane.
What is the SMILES notation for 4-methyl-2-propoxy-1,3,2-dioxaphosphinane?
The canonical SMILES for 4-methyl-2-propoxy-1,3,2-dioxaphosphinane is CCCOP1OCCC(C)O1.
What is the InChIKey of 4-methyl-2-propoxy-1,3,2-dioxaphosphinane?
The InChIKey is OWCUMGXGAZGUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-3-5-8-11-9-6-4-7(2)10-11/h7H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-propoxy-1,3,2-dioxaphosphinane?
4-methyl-2-propoxy-1,3,2-dioxaphosphinane has a molecular weight of 178.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propoxy-1,3,2-dioxaphosphinane is sourced from PubChem (CID 91988865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).