4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane

C8H16O3P- — CID 101007186

IUPAC4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane
SMILESCC1(C)CCC(C)(C)OP([O-])O1
InChIInChI=1S/C8H16O3P/c1-7(2)5-6-8(3,4)11-12(9)10-7/h5-6H2,1-4H3/q-1
InChIKeySRXQGFQJVHKVTM-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.96
Rot. Bonds

About 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane

4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane (PubChem CID 101007186) has the molecular formula C8H16O3P- and a molecular weight of 191.19 g/mol. Its IUPAC name is 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane.

Molecular Properties

Compound Name4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane
PubChem CID101007186
Molecular FormulaC8H16O3P-
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane
SMILESCC1(C)CCC(C)(C)OP([O-])O1
InChIInChI=1S/C8H16O3P/c1-7(2)5-6-8(3,4)11-12(9)10-7/h5-6H2,1-4H3/q-1
InChIKeySRXQGFQJVHKVTM-UHFFFAOYSA-N
XLogP1.96
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane?
The IUPAC name of 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane (CID 101007186) is 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane.
What is the SMILES notation for 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane?
The canonical SMILES for 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane is CC1(C)CCC(C)(C)OP([O-])O1.
What is the InChIKey of 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane?
The InChIKey is SRXQGFQJVHKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3P/c1-7(2)5-6-8(3,4)11-12(9)10-7/h5-6H2,1-4H3/q-1.
What are the key properties of 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane?
4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane has a molecular weight of 191.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7,7-tetramethyl-2-oxido-1,3,2-dioxaphosphepane is sourced from PubChem (CID 101007186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).