tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane

C14H24OSi — CID 11031892

IUPACtert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)[C@@H]2CC=C[C@H]12
InChIInChI=1S/C14H24OSi/c1-10-11-8-7-9-12(11)13(10)15-16(5,6)14(2,3)4/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyKQIYAEYNIJIHSX-VXGBXAGGSA-N
MW236.43 g/mol
LogP4.49
Rot. Bonds2

About tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane

tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane (PubChem CID 11031892) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane
PubChem CID11031892
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Nametert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)[C@@H]2CC=C[C@H]12
InChIInChI=1S/C14H24OSi/c1-10-11-8-7-9-12(11)13(10)15-16(5,6)14(2,3)4/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyKQIYAEYNIJIHSX-VXGBXAGGSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane (CID 11031892) is tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane is CC1=C(O[Si](C)(C)C(C)(C)C)[C@@H]2CC=C[C@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane?
The InChIKey is KQIYAEYNIJIHSX-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H24OSi/c1-10-11-8-7-9-12(11)13(10)15-16(5,6)14(2,3)4/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane has a molecular weight of 236.43 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5R)-7-methyl-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]silane is sourced from PubChem (CID 11031892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).