4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide

C8H17O4P — CID 102249140

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CCOP(=O)(OC(C)(C)C)O1
InChIInChI=1S/C8H17O4P/c1-7-5-6-10-13(9,11-7)12-8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyBNUJXKIVQMITBH-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.73
Rot. Bonds1

About 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide

4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 102249140) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID102249140
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1CCOP(=O)(OC(C)(C)C)O1
InChIInChI=1S/C8H17O4P/c1-7-5-6-10-13(9,11-7)12-8(2,3)4/h7H,5-6H2,1-4H3
InChIKeyBNUJXKIVQMITBH-UHFFFAOYSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.73
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 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide (CID 102249140) is 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide is CC1CCOP(=O)(OC(C)(C)C)O1.
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is BNUJXKIVQMITBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-7-5-6-10-13(9,11-7)12-8(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide?
4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 208.19 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 102249140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).