2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C13H28O4Si4 — CID 58802956

IUPAC2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCC2CC3C=CC2C3)O[SiH](C)O1
InChIInChI=1S/C13H28O4Si4/c1-18-14-19(2)16-21(4,17-20(3)15-18)8-7-13-10-11-5-6-12(13)9-11/h5-6,11-13,18-20H,7-10H2,1-4H3
InChIKeyXHJDQNQCKGBEAA-UHFFFAOYSA-N
MW360.71 g/mol
LogP2.29
Rot. Bonds3

About 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 58802956) has the molecular formula C13H28O4Si4 and a molecular weight of 360.71 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID58802956
Molecular FormulaC13H28O4Si4
Molecular Weight360.71 g/mol
Exact Mass360.11
IUPAC Name2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCC2CC3C=CC2C3)O[SiH](C)O1
InChIInChI=1S/C13H28O4Si4/c1-18-14-19(2)16-21(4,17-20(3)15-18)8-7-13-10-11-5-6-12(13)9-11/h5-6,11-13,18-20H,7-10H2,1-4H3
InChIKeyXHJDQNQCKGBEAA-UHFFFAOYSA-N
XLogP2.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.71
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 58802956) is 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[SiH]1O[SiH](C)O[Si](C)(CCC2CC3C=CC2C3)O[SiH](C)O1.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is XHJDQNQCKGBEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si4/c1-18-14-19(2)16-21(4,17-20(3)15-18)8-7-13-10-11-5-6-12(13)9-11/h5-6,11-13,18-20H,7-10H2,1-4H3.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 360.71 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 58802956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).