tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane

C30H34OSi — CID 134959748

IUPACtert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
SMILESCC(C)(C)[Si](O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34OSi/c1-30(2,3)32(23-12-6-4-7-13-23,24-14-8-5-9-15-24)31-29-26-17-11-10-16-25(26)27-21-18-19-22(20-21)28(27)29/h4-17,21-22,27-29H,18-20H2,1-3H3/t21-,22?,27?,28+,29-/m0/s1
InChIKeyLWOYMBHXFADIRJ-SSSGKXSBSA-N
MW438.69 g/mol
LogP6.45
Rot. Bonds4

About tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane

tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane (PubChem CID 134959748) has the molecular formula C30H34OSi and a molecular weight of 438.69 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
PubChem CID134959748
Molecular FormulaC30H34OSi
Molecular Weight438.69 g/mol
Exact Mass438.24
IUPAC Nametert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
SMILESCC(C)(C)[Si](O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34OSi/c1-30(2,3)32(23-12-6-4-7-13-23,24-14-8-5-9-15-24)31-29-26-17-11-10-16-25(26)27-21-18-19-22(20-21)28(27)29/h4-17,21-22,27-29H,18-20H2,1-3H3/t21-,22?,27?,28+,29-/m0/s1
InChIKeyLWOYMBHXFADIRJ-SSSGKXSBSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.69
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,9R,10R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959747
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
CID 134959844
tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959745
[(1S,9R,10R)-5-tert-butyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959746
[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959841
[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane
CID 134959842
tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959843
tert-butyl-(9H-fluoren-9-yloxy)-phenylsilane
CID 162413233
[(1S,2R,9S,10S,11R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 53391773
(3aS,8bR)-1-methyl-2,2-diphenyl-1,3a,4,8b-tetrahydroindeno[1,2-d]oxasilole
CID 11110656
Trimethyl-[9-[(9-trimethylsilyloxyfluoren-9-yl)methyl]fluoren-9-yl]oxysilane
CID 18728832
[1,1-bis(9H-fluoren-1-yl)-2-trimethylsilyloxyethoxy]-trimethylsilane
CID 68145086

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane (CID 134959748) is tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane is CC(C)(C)[Si](O[C@H]1c2ccccc2C2[C@H]3CCC(C3)[C@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
The InChIKey is LWOYMBHXFADIRJ-SSSGKXSBSA-N. The full InChI is InChI=1S/C30H34OSi/c1-30(2,3)32(23-12-6-4-7-13-23,24-14-8-5-9-15-24)31-29-26-17-11-10-16-25(26)27-21-18-19-22(20-21)28(27)29/h4-17,21-22,27-29H,18-20H2,1-3H3/t21-,22?,27?,28+,29-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane?
tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane has a molecular weight of 438.69 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane is sourced from PubChem (CID 134959748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).