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

C16H31O2P — CID 58067314

IUPAC9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCC(C)(C)P1C(C)(C)CC2(CC1(C)C)OCCCO2
InChIInChI=1S/C16H31O2P/c1-13(2,3)19-14(4,5)11-16(12-15(19,6)7)17-9-8-10-18-16/h8-12H2,1-7H3
InChIKeyBZVACQRKZYEEFR-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.75
Rot. Bonds

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

9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (PubChem CID 58067314) has the molecular formula C16H31O2P and a molecular weight of 286.40 g/mol. Its IUPAC name is 9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
PubChem CID58067314
Molecular FormulaC16H31O2P
Molecular Weight286.40 g/mol
Exact Mass286.21
IUPAC Name9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCC(C)(C)P1C(C)(C)CC2(CC1(C)C)OCCCO2
InChIInChI=1S/C16H31O2P/c1-13(2,3)19-14(4,5)11-16(12-15(19,6)7)17-9-8-10-18-16/h8-12H2,1-7H3
InChIKeyBZVACQRKZYEEFR-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.75
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-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (CID 58067314) is 9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is CC(C)(C)P1C(C)(C)CC2(CC1(C)C)OCCCO2.
What is the InChIKey of 9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The InChIKey is BZVACQRKZYEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31O2P/c1-13(2,3)19-14(4,5)11-16(12-15(19,6)7)17-9-8-10-18-16/h8-12H2,1-7H3.
What are the key properties of 9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
9-tert-butyl-8,8,10,10-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane has a molecular weight of 286.40 g/mol, XLogP of 4.75, 0 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-tetramethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is sourced from PubChem (CID 58067314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).