tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane

C19H32OSi — CID 14529462

IUPACtert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@]1(C)C1=CCC=C12
InChIInChI=1S/C19H32OSi/c1-17(2,3)21(6,7)20-13-19(5)16-11-12-18(19,4)15-10-8-9-14(15)16/h9-10,16H,8,11-13H2,1-7H3/t16-,18+,19+/m0/s1
InChIKeyJKODIZMQJVBUCH-QXAKKESOSA-N
MW304.55 g/mol
LogP5.70
Rot. Bonds3

About tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane

tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane (PubChem CID 14529462) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane
PubChem CID14529462
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Nametert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@]1(C)C1=CCC=C12
InChIInChI=1S/C19H32OSi/c1-17(2,3)21(6,7)20-13-19(5)16-11-12-18(19,4)15-10-8-9-14(15)16/h9-10,16H,8,11-13H2,1-7H3/t16-,18+,19+/m0/s1
InChIKeyJKODIZMQJVBUCH-QXAKKESOSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane (CID 14529462) is tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@]1(C)[C@H]2CC[C@]1(C)C1=CCC=C12.
What is the InChIKey of tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane?
The InChIKey is JKODIZMQJVBUCH-QXAKKESOSA-N. The full InChI is InChI=1S/C19H32OSi/c1-17(2,3)21(6,7)20-13-19(5)16-11-12-18(19,4)15-10-8-9-14(15)16/h9-10,16H,8,11-13H2,1-7H3/t16-,18+,19+/m0/s1.
What are the key properties of tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane?
tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane has a molecular weight of 304.55 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,7S,10R)-1,10-dimethyl-10-tricyclo[5.2.1.02,6]deca-2,5-dienyl]methoxy]-dimethylsilane is sourced from PubChem (CID 14529462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).