tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane

C22H42OSi — CID 10450559

About tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane

tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane (PubChem CID 10450559) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane
• PubChem CID: 10450559
• Molecular Formula: C22H42OSi
• Molecular Weight: 350.66 g/mol
• Exact Mass: 350.30
• IUPAC Name: tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane
• SMILES: C=CC[C@]1(C)C[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]1(C)C2(C)C
• InChI: InChI=1S/C22H42OSi/c1-11-14-21(7)16-17-18(23-24(9,10)19(2,3)4)13-12-15-22(21,8)20(17,5)6/h11,17-18H,1,12-16H2,2-10H3/t17-,18+,21+,22+/m0/s1
• InChIKey: HWYUNWWGKPQMQX-XHIHJMKYSA-N
• XLogP: 7.20
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.66
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane (CID 10450559) is tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane is C=CC[C@]1(C)C[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]1(C)C2(C)C.

What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane?

The InChIKey is HWYUNWWGKPQMQX-XHIHJMKYSA-N. The full InChI is InChI=1S/C22H42OSi/c1-11-14-21(7)16-17-18(23-24(9,10)19(2,3)4)13-12-15-22(21,8)20(17,5)6/h11,17-18H,1,12-16H2,2-10H3/t17-,18+,21+,22+/m0/s1.

What are the key properties of tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane?

tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane has a molecular weight of 350.66 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane is sourced from PubChem (CID 10450559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).