9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

C18H35O2P — CID 58051229

IUPAC9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCC1(C)COC2(CC(C)(C)P(C(C)(C)C)C(C)(C)C2)OC1
InChIInChI=1S/C18H35O2P/c1-14(2,3)21-16(6,7)10-18(11-17(21,8)9)19-12-15(4,5)13-20-18/h10-13H2,1-9H3
InChIKeyBCBFGHYBLOCDTK-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.39
Rot. Bonds

About 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane

9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (PubChem CID 58051229) has the molecular formula C18H35O2P and a molecular weight of 314.45 g/mol. Its IUPAC name is 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
PubChem CID58051229
Molecular FormulaC18H35O2P
Molecular Weight314.45 g/mol
Exact Mass314.24
IUPAC Name9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane
SMILESCC1(C)COC2(CC(C)(C)P(C(C)(C)C)C(C)(C)C2)OC1
InChIInChI=1S/C18H35O2P/c1-14(2,3)21-16(6,7)10-18(11-17(21,8)9)19-12-15(4,5)13-20-18/h10-13H2,1-9H3
InChIKeyBCBFGHYBLOCDTK-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane (CID 58051229) is 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is CC1(C)COC2(CC(C)(C)P(C(C)(C)C)C(C)(C)C2)OC1.
What is the InChIKey of 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
The InChIKey is BCBFGHYBLOCDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35O2P/c1-14(2,3)21-16(6,7)10-18(11-17(21,8)9)19-12-15(4,5)13-20-18/h10-13H2,1-9H3.
What are the key properties of 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane?
9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane has a molecular weight of 314.45 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-phosphaspiro[5.5]undecane is sourced from PubChem (CID 58051229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).