tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane

C15H24Cl4OSi — CID 125029134

IUPACtert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1C[C@@H]2[C@H]([C@H]3[C@H](C1)C3(Cl)Cl)C2(Cl)Cl
InChIInChI=1S/C15H24Cl4OSi/c1-13(2,3)21(4,5)20-8-6-9-11(14(9,16)17)12-10(7-8)15(12,18)19/h8-12H,6-7H2,1-5H3/t8?,9-,10+,11-,12-/m1/s1
InChIKeyQEKNNVGSMWNWRH-UPUXHGCUSA-N
MW390.25 g/mol
LogP6.01
Rot. Bonds2

About tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane

tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane (PubChem CID 125029134) has the molecular formula C15H24Cl4OSi and a molecular weight of 390.25 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane
PubChem CID125029134
Molecular FormulaC15H24Cl4OSi
Molecular Weight390.25 g/mol
Exact Mass388.04
IUPAC Nametert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1C[C@@H]2[C@H]([C@H]3[C@H](C1)C3(Cl)Cl)C2(Cl)Cl
InChIInChI=1S/C15H24Cl4OSi/c1-13(2,3)21(4,5)20-8-6-9-11(14(9,16)17)12-10(7-8)15(12,18)19/h8-12H,6-7H2,1-5H3/t8?,9-,10+,11-,12-/m1/s1
InChIKeyQEKNNVGSMWNWRH-UPUXHGCUSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane (CID 125029134) is tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane is CC(C)(C)[Si](C)(C)OC1C[C@@H]2[C@H]([C@H]3[C@H](C1)C3(Cl)Cl)C2(Cl)Cl.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane?
The InChIKey is QEKNNVGSMWNWRH-UPUXHGCUSA-N. The full InChI is InChI=1S/C15H24Cl4OSi/c1-13(2,3)21(4,5)20-8-6-9-11(14(9,16)17)12-10(7-8)15(12,18)19/h8-12H,6-7H2,1-5H3/t8?,9-,10+,11-,12-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane?
tert-butyl-dimethyl-[[(1R,2R,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane has a molecular weight of 390.25 g/mol, XLogP of 6.01, 2 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,4R,8S)-3,3,9,9-tetrachloro-6-tricyclo[6.1.0.02,4]nonanyl]oxy]silane is sourced from PubChem (CID 125029134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).