tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide

C12H21O2Si- — CID 163775420

IUPACtert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide
SMILESC[Si-](OC1C[C@]12C=CCCO2)C(C)(C)C
InChIInChI=1S/C12H21O2Si/c1-11(2,3)15(4)14-10-9-12(10)7-5-6-8-13-12/h5,7,10H,6,8-9H2,1-4H3/q-1/t10?,12-/m1/s1
InChIKeyMKAABZVPIQYFSJ-TVKKRMFBSA-N
MW225.38 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide

tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide (PubChem CID 163775420) has the molecular formula C12H21O2Si- and a molecular weight of 225.38 g/mol. Its IUPAC name is tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide.

Molecular Properties

Compound Nametert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide
PubChem CID163775420
Molecular FormulaC12H21O2Si-
Molecular Weight225.38 g/mol
Exact Mass225.13
IUPAC Nametert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide
SMILESC[Si-](OC1C[C@]12C=CCCO2)C(C)(C)C
InChIInChI=1S/C12H21O2Si/c1-11(2,3)15(4)14-10-9-12(10)7-5-6-8-13-12/h5,7,10H,6,8-9H2,1-4H3/q-1/t10?,12-/m1/s1
InChIKeyMKAABZVPIQYFSJ-TVKKRMFBSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10824866
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11160538
tert-butyl-[(1R,2R)-2-methoxy-2-[(1E,3E)-penta-1,3-dienyl]cyclopropyl]oxy-dimethylsilane
CID 14633649
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(6R)-3,6-dihydro-2H-pyran-6-yl]but-3-enoxy]-dimethylsilane
CID 101193985
Tert-butyl-dimethyl-(2,3,4,7-tetrahydrooxepin-7-ylmethoxy)silane
CID 102504792
tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
tert-butyl-[(1S)-1-(3-methoxy-2,5-dihydrofuran-2-yl)ethoxy]-dimethylsilane
CID 134836061
Tert-butyl-(6-methoxycyclohexa-1,4-dien-1-yl)oxy-dimethylsilane
CID 134975843
tert-butyl-(3,6-dihydro-2H-pyran-6-ylmethoxy)-dimethylsilane
CID 135082260
tert-butyl-[[(2S,5S)-5-ethyl-3-methyl-2,5-dihydrofuran-2-yl]methoxy]-dimethylsilane
CID 154711795

Frequently Asked Questions

What is the IUPAC name of tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide?
The IUPAC name of tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide (CID 163775420) is tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide.
What is the SMILES notation for tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide?
The canonical SMILES for tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide is C[Si-](OC1C[C@]12C=CCCO2)C(C)(C)C.
What is the InChIKey of tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide?
The InChIKey is MKAABZVPIQYFSJ-TVKKRMFBSA-N. The full InChI is InChI=1S/C12H21O2Si/c1-11(2,3)15(4)14-10-9-12(10)7-5-6-8-13-12/h5,7,10H,6,8-9H2,1-4H3/q-1/t10?,12-/m1/s1.
What are the key properties of tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide?
tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide has a molecular weight of 225.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methyl-[[(3S)-4-oxaspiro[2.5]oct-7-en-2-yl]oxy]silanide is sourced from PubChem (CID 163775420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).