2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane

C12H25O2P — CID 21117725

IUPAC2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane
SMILESCC(C)C1CC(C(C)C)OP(C(C)C)O1
InChIInChI=1S/C12H25O2P/c1-8(2)11-7-12(9(3)4)14-15(13-11)10(5)6/h8-12H,7H2,1-6H3
InChIKeyYLEBHTZHRYJPKZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.19
Rot. Bonds3

About 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane

2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane (PubChem CID 21117725) has the molecular formula C12H25O2P and a molecular weight of 232.30 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane
PubChem CID21117725
Molecular FormulaC12H25O2P
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane
SMILESCC(C)C1CC(C(C)C)OP(C(C)C)O1
InChIInChI=1S/C12H25O2P/c1-8(2)11-7-12(9(3)4)14-15(13-11)10(5)6/h8-12H,7H2,1-6H3
InChIKeyYLEBHTZHRYJPKZ-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.19
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 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane?
The IUPAC name of 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane (CID 21117725) is 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane is CC(C)C1CC(C(C)C)OP(C(C)C)O1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane?
The InChIKey is YLEBHTZHRYJPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O2P/c1-8(2)11-7-12(9(3)4)14-15(13-11)10(5)6/h8-12H,7H2,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane?
2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane has a molecular weight of 232.30 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-1,3,2-dioxaphosphinane is sourced from PubChem (CID 21117725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).