9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

C20H39O2P — CID 122692615

IUPAC9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCC1(CC)CC2(CC(CC)(CC)P1C(C)(C)C)OCCCO2
InChIInChI=1S/C20H39O2P/c1-8-18(9-2)15-20(21-13-12-14-22-20)16-19(10-3,11-4)23(18)17(5,6)7/h8-16H2,1-7H3
InChIKeyZHDWHKZNZNLLJL-UHFFFAOYSA-N
MW342.50 g/mol
LogP6.31
Rot. Bonds4

About 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (PubChem CID 122692615) has the molecular formula C20H39O2P and a molecular weight of 342.50 g/mol. Its IUPAC name is 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
PubChem CID122692615
Molecular FormulaC20H39O2P
Molecular Weight342.50 g/mol
Exact Mass342.27
IUPAC Name9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCC1(CC)CC2(CC(CC)(CC)P1C(C)(C)C)OCCCO2
InChIInChI=1S/C20H39O2P/c1-8-18(9-2)15-20(21-13-12-14-22-20)16-19(10-3,11-4)23(18)17(5,6)7/h8-16H2,1-7H3
InChIKeyZHDWHKZNZNLLJL-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 56.31
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 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (CID 122692615) is 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is CCC1(CC)CC2(CC(CC)(CC)P1C(C)(C)C)OCCCO2.
What is the InChIKey of 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The InChIKey is ZHDWHKZNZNLLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39O2P/c1-8-18(9-2)15-20(21-13-12-14-22-20)16-19(10-3,11-4)23(18)17(5,6)7/h8-16H2,1-7H3.
What are the key properties of 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane has a molecular weight of 342.50 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is sourced from PubChem (CID 122692615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).