tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane

C20H36O3Si — CID 101145364

IUPACtert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C2(CC(C)=C1)O[C@H](C)C[C@H](C)O2
InChIInChI=1S/C20H36O3Si/c1-14-10-15(2)13-20(21-16(3)12-17(4)22-20)18(11-14)23-24(8,9)19(5,6)7/h10-11,16-18H,12-13H2,1-9H3/t16-,17+,18-,20?/m1/s1
InChIKeyQNALIHMCOQMLOZ-RYRLBTNJSA-N
MW352.59 g/mol
LogP5.58
Rot. Bonds2

About tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane

tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane (PubChem CID 101145364) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane
PubChem CID101145364
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Nametert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane
SMILESCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C2(CC(C)=C1)O[C@H](C)C[C@H](C)O2
InChIInChI=1S/C20H36O3Si/c1-14-10-15(2)13-20(21-16(3)12-17(4)22-20)18(11-14)23-24(8,9)19(5,6)7/h10-11,16-18H,12-13H2,1-9H3/t16-,17+,18-,20?/m1/s1
InChIKeyQNALIHMCOQMLOZ-RYRLBTNJSA-N
XLogP5.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane with MolForge

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Related Compounds

tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane
CID 11444947
3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane
CID 134866038
[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane
CID 134866062
tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane
CID 11763205
[(2S,3S,4aS,5R,8aR)-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-5-yl]oxy-tert-butyl-dimethylsilane
CID 12987025

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane (CID 101145364) is tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane is CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)C2(CC(C)=C1)O[C@H](C)C[C@H](C)O2.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane?
The InChIKey is QNALIHMCOQMLOZ-RYRLBTNJSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-14-10-15(2)13-20(21-16(3)12-17(4)22-20)18(11-14)23-24(8,9)19(5,6)7/h10-11,16-18H,12-13H2,1-9H3/t16-,17+,18-,20?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane?
tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane has a molecular weight of 352.59 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane is sourced from PubChem (CID 101145364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).