[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane

C15H30O2Si2 — CID 102257492

IUPAC[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
SMILESC[C@@H]1C=C(O[Si](C)(C)C)CC(O[Si](C)(C)C)=C[C@@H]1C
InChIInChI=1S/C15H30O2Si2/c1-12-9-14(16-18(3,4)5)11-15(10-13(12)2)17-19(6,7)8/h9-10,12-13H,11H2,1-8H3/t12-,13+
InChIKeyMGHPJIVFXZNQRD-BETUJISGSA-N
MW298.57 g/mol
LogP5.13
Rot. Bonds4

About [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane

[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane (PubChem CID 102257492) has the molecular formula C15H30O2Si2 and a molecular weight of 298.57 g/mol. Its IUPAC name is [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
PubChem CID102257492
Molecular FormulaC15H30O2Si2
Molecular Weight298.57 g/mol
Exact Mass298.18
IUPAC Name[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
SMILESC[C@@H]1C=C(O[Si](C)(C)C)CC(O[Si](C)(C)C)=C[C@@H]1C
InChIInChI=1S/C15H30O2Si2/c1-12-9-14(16-18(3,4)5)11-15(10-13(12)2)17-19(6,7)8/h9-10,12-13H,11H2,1-8H3/t12-,13+
InChIKeyMGHPJIVFXZNQRD-BETUJISGSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.57
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914
[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 14226865
(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
CID 11739269
3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yloxy(trimethyl)silane
CID 15609196
trimethyl-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]oxy]silane
CID 10943782
6-tert-butyl-4-trimethylsilyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 67617252
trimethyl-[3-(3-trimethylsilyloxycyclohex-2-en-1-yl)propyl]silane
CID 15505011
(3-butylcyclohexen-1-yl)oxy-trimethylsilane
CID 597983
trimethyl-(2-trimethylsilyloxycyclohexa-1,4-dien-1-yl)oxysilane
CID 56999205
trimethyl-[4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexen-1-yl]oxysilane
CID 74955942
2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile
CID 11207183
(5-chlorocyclopenten-1-yl)oxy-trimethylsilane
CID 12913653

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane (CID 102257492) is [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane is C[C@@H]1C=C(O[Si](C)(C)C)CC(O[Si](C)(C)C)=C[C@@H]1C.
What is the InChIKey of [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane?
The InChIKey is MGHPJIVFXZNQRD-BETUJISGSA-N. The full InChI is InChI=1S/C15H30O2Si2/c1-12-9-14(16-18(3,4)5)11-15(10-13(12)2)17-19(6,7)8/h9-10,12-13H,11H2,1-8H3/t12-,13+.
What are the key properties of [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane?
[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane has a molecular weight of 298.57 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 102257492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).