tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane

C19H34O2Si — CID 172571483

About tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane (PubChem CID 172571483) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
• PubChem CID: 172571483
• Molecular Formula: C19H34O2Si
• Molecular Weight: 322.57 g/mol
• Exact Mass: 322.23
• IUPAC Name: tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
• SMILES: C=C(C)C1=C[C@]2(C)O[C@@]1(C(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H34O2Si/c1-13(2)15-11-18(8)16(12-19(15,21-18)14(3)4)20-22(9,10)17(5,6)7/h11,14,16H,1,12H2,2-10H3/t16-,18+,19-/m1/s1
• InChIKey: HALWFUSCJRHUTN-NZSAHSFTSA-N
• XLogP: 5.47
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	322.57
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane (CID 172571483) is tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane is C=C(C)C1=C[C@]2(C)O[C@@]1(C(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?

The InChIKey is HALWFUSCJRHUTN-NZSAHSFTSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-13(2)15-11-18(8)16(12-19(15,21-18)14(3)4)20-22(9,10)17(5,6)7/h11,14,16H,1,12H2,2-10H3/t16-,18+,19-/m1/s1.

What are the key properties of tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?

tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane has a molecular weight of 322.57 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(1S,2R,4R)-1-methyl-4-propan-2-yl-5-prop-1-en-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane is sourced from PubChem (CID 172571483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).