2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane

C38H86O10Si8 — CID 162149996

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane
SMILESC.C1CCOC1.C[Si](C)(C)O[Si](C)(C)OCC1CC2C=CC1C2.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.OCC1CC2C=CC1C2
InChIInChI=1S/C13H26O2Si2.C8H12O.2C6H18O3Si3.C4H8O.CH4/c1-16(2,3)15-17(4,5)14-10-13-9-11-6-7-12(13)8-11;9-5-8-4-6-1-2-7(8)3-6;2*1-10(2)7-11(3,4)9-12(5,6)8-10;1-2-4-5-3-1;/h6-7,11-13H,8-10H2,1-5H3;1-2,6-9H,3-5H2;2*1-6H3;1-4H2;1H4
InChIKeyZLBPIQVZAMVDNZ-UHFFFAOYSA-N
MW927.78 g/mol
LogP10.70
Rot. Bonds6

About 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane

2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane (PubChem CID 162149996) has the molecular formula C38H86O10Si8 and a molecular weight of 927.78 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane
PubChem CID162149996
Molecular FormulaC38H86O10Si8
Molecular Weight927.78 g/mol
Exact Mass926.44
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane
SMILESC.C1CCOC1.C[Si](C)(C)O[Si](C)(C)OCC1CC2C=CC1C2.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.OCC1CC2C=CC1C2
InChIInChI=1S/C13H26O2Si2.C8H12O.2C6H18O3Si3.C4H8O.CH4/c1-16(2,3)15-17(4,5)14-10-13-9-11-6-7-12(13)8-11;9-5-8-4-6-1-2-7(8)3-6;2*1-10(2)7-11(3,4)9-12(5,6)8-10;1-2-4-5-3-1;/h6-7,11-13H,8-10H2,1-5H3;1-2,6-9H,3-5H2;2*1-6H3;1-4H2;1H4
InChIKeyZLBPIQVZAMVDNZ-UHFFFAOYSA-N
XLogP10.70
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.78
LogP ≤ 510.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane (CID 162149996) is 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane is C.C1CCOC1.C[Si](C)(C)O[Si](C)(C)OCC1CC2C=CC1C2.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1.OCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane?
The InChIKey is ZLBPIQVZAMVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si2.C8H12O.2C6H18O3Si3.C4H8O.CH4/c1-16(2,3)15-17(4,5)14-10-13-9-11-6-7-12(13)8-11;9-5-8-4-6-1-2-7(8)3-6;2*1-10(2)7-11(3,4)9-12(5,6)8-10;1-2-4-5-3-1;/h6-7,11-13H,8-10H2,1-5H3;1-2,6-9H,3-5H2;2*1-6H3;1-4H2;1H4.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane?
2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane has a molecular weight of 927.78 g/mol, XLogP of 10.70, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanol;2-bicyclo[2.2.1]hept-5-enylmethoxy-dimethyl-trimethylsilyloxysilane;bis(2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane);methane;oxolane is sourced from PubChem (CID 162149996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).