[(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane

C14H28O2Si2 — CID 90202087

IUPAC[(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane
SMILESCOC1=C([Si](C)(C)C)C=C[C@@H]([Si](C)(C)C)[C@H]1OC
InChIInChI=1S/C14H28O2Si2/c1-15-13-11(17(3,4)5)9-10-12(14(13)16-2)18(6,7)8/h9-11,13H,1-8H3/t11-,13-/m1/s1
InChIKeyQLYJUBGYDMRJCU-DGCLKSJQSA-N
MW284.55 g/mol
LogP4.06
Rot. Bonds4

About [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane

[(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane (PubChem CID 90202087) has the molecular formula C14H28O2Si2 and a molecular weight of 284.55 g/mol. Its IUPAC name is [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane
PubChem CID90202087
Molecular FormulaC14H28O2Si2
Molecular Weight284.55 g/mol
Exact Mass284.16
IUPAC Name[(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane
SMILESCOC1=C([Si](C)(C)C)C=C[C@@H]([Si](C)(C)C)[C@H]1OC
InChIInChI=1S/C14H28O2Si2/c1-15-13-11(17(3,4)5)9-10-12(14(13)16-2)18(6,7)8/h9-11,13H,1-8H3/t11-,13-/m1/s1
InChIKeyQLYJUBGYDMRJCU-DGCLKSJQSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane (CID 90202087) is [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane is COC1=C([Si](C)(C)C)C=C[C@@H]([Si](C)(C)C)[C@H]1OC.
What is the InChIKey of [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane?
The InChIKey is QLYJUBGYDMRJCU-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H28O2Si2/c1-15-13-11(17(3,4)5)9-10-12(14(13)16-2)18(6,7)8/h9-11,13H,1-8H3/t11-,13-/m1/s1.
What are the key properties of [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane?
[(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane has a molecular weight of 284.55 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-5,6-dimethoxy-4-trimethylsilylcyclohexa-2,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 90202087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).