2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane

C14H28O2Si — CID 132603845

IUPAC2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane
SMILESCC1(C)CCCC[Si]2(CCCCC(C)(C)O2)O1
InChIInChI=1S/C14H28O2Si/c1-13(2)9-5-7-11-17(15-13)12-8-6-10-14(3,4)16-17/h5-12H2,1-4H3
InChIKeyLYIUHKHIMGWTLY-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.39
Rot. Bonds

About 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane

2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane (PubChem CID 132603845) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane.

Molecular Properties

Compound Name2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane
PubChem CID132603845
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane
SMILESCC1(C)CCCC[Si]2(CCCCC(C)(C)O2)O1
InChIInChI=1S/C14H28O2Si/c1-13(2)9-5-7-11-17(15-13)12-8-6-10-14(3,4)16-17/h5-12H2,1-4H3
InChIKeyLYIUHKHIMGWTLY-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane 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 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane?
The IUPAC name of 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane (CID 132603845) is 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane.
What is the SMILES notation for 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane?
The canonical SMILES for 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane is CC1(C)CCCC[Si]2(CCCCC(C)(C)O2)O1.
What is the InChIKey of 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane?
The InChIKey is LYIUHKHIMGWTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-13(2)9-5-7-11-17(15-13)12-8-6-10-14(3,4)16-17/h5-12H2,1-4H3.
What are the key properties of 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane?
2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane has a molecular weight of 256.46 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9,9-tetramethyl-1,8-dioxa-7-silaspiro[6.6]tridecane is sourced from PubChem (CID 132603845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).