9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

C22H43O2P — CID 58051254

IUPAC9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCC1(CC)C(C)C2(OCCCO2)C(C)C(CC)(CC)P1C(C)(C)C
InChIInChI=1S/C22H43O2P/c1-10-20(11-2)17(5)22(23-15-14-16-24-22)18(6)21(12-3,13-4)25(20)19(7,8)9/h17-18H,10-16H2,1-9H3
InChIKeyBXFFWAWGVCNRQB-UHFFFAOYSA-N
MW370.56 g/mol
LogP6.80
Rot. Bonds4

About 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (PubChem CID 58051254) has the molecular formula C22H43O2P and a molecular weight of 370.56 g/mol. Its IUPAC name is 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
PubChem CID58051254
Molecular FormulaC22H43O2P
Molecular Weight370.56 g/mol
Exact Mass370.30
IUPAC Name9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCCC1(CC)C(C)C2(OCCCO2)C(C)C(CC)(CC)P1C(C)(C)C
InChIInChI=1S/C22H43O2P/c1-10-20(11-2)17(5)22(23-15-14-16-24-22)18(6)21(12-3,13-4)25(20)19(7,8)9/h17-18H,10-16H2,1-9H3
InChIKeyBXFFWAWGVCNRQB-UHFFFAOYSA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-Tert-butyl-7,7,9,9-tetraethyl-6,10-dimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
CID 58051226
9-Tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 58051229
9-Tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 58067314
8,8,9,10-Tetraethyl-7,11-dimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 68075520
8,8,9,10,10-Pentamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 68075553
7,7,9,9-Tetraethyl-6,8,10-trimethyl-1,4-dioxa-8-phosphaspiro[4.5]decane
CID 89760557
8,8,10,10-Tetraethyl-7,9,11-trimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 89760580
8,8,10-Triethyl-7,9,11-trimethyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 90463749
1',6'-Diethyl-7',9',10'-trimethylspiro[1,3-dioxane-2,8'-10-phosphabicyclo[4.3.1]decane]
CID 118119459
9-Tert-butyl-8,8,10,10-tetraethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 122692615
8,8,10-Triethyl-9-methyl-10-propyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
CID 122695409
7,7,9,9-Tetraethyl-6,8,8,10-tetramethyl-1,4-dioxa-8-phosphoniaspiro[4.5]decane
CID 123747747

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (CID 58051254) is 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is CCC1(CC)C(C)C2(OCCCO2)C(C)C(CC)(CC)P1C(C)(C)C.
What is the InChIKey of 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The InChIKey is BXFFWAWGVCNRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43O2P/c1-10-20(11-2)17(5)22(23-15-14-16-24-22)18(6)21(12-3,13-4)25(20)19(7,8)9/h17-18H,10-16H2,1-9H3.
What are the key properties of 9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
9-tert-butyl-8,8,10,10-tetraethyl-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane has a molecular weight of 370.56 g/mol, XLogP of 6.80, 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-7,11-dimethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is sourced from PubChem (CID 58051254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).