tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane

C16H30O3Si — CID 101096665

IUPACtert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
SMILESC[C@@H]1OC(C)(C)O[C@]12C=C[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H30O3Si/c1-12-16(19-15(5,6)17-12)10-9-13(11-16)18-20(7,8)14(2,3)4/h9-10,12-13H,11H2,1-8H3/t12-,13+,16-/m0/s1
InChIKeyJLQYYBTVOCUVOM-ZENOOKHLSA-N
MW298.50 g/mol
LogP4.25
Rot. Bonds2

About tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane

tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane (PubChem CID 101096665) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
PubChem CID101096665
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nametert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
SMILESC[C@@H]1OC(C)(C)O[C@]12C=C[C@@H](O[Si](C)(C)C(C)(C)C)C2
InChIInChI=1S/C16H30O3Si/c1-12-16(19-15(5,6)17-12)10-9-13(11-16)18-20(7,8)14(2,3)4/h9-10,12-13H,11H2,1-8H3/t12-,13+,16-/m0/s1
InChIKeyJLQYYBTVOCUVOM-ZENOOKHLSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(4S,5S)-4-but-3-enyl-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-dimethylsilane
CID 24861887
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
[(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane
CID 134833055
tert-butyl-[[(5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,2-dimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]-dimethylsilane
CID 134972898
tert-butyl-[[(1R,3S,6E,12S)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxatricyclo[8.3.0.01,3]trideca-6,10-dien-4,8-diyn-12-yl]oxy]-dimethylsilane
CID 134978127
tert-butyl-dimethyl-[[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 135040498
[(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 146169014
Tert-butyl-[4-(methoxymethoxy)-4-prop-2-enylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 57103084
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 72806194
(+)-tert-butyl(((3aR,4R,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methoxy)dimethylsilane
CID 89762123
[(3aR,6S,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
CID 155623340

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane (CID 101096665) is tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane is C[C@@H]1OC(C)(C)O[C@]12C=C[C@@H](O[Si](C)(C)C(C)(C)C)C2.
What is the InChIKey of tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
The InChIKey is JLQYYBTVOCUVOM-ZENOOKHLSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12-16(19-15(5,6)17-12)10-9-13(11-16)18-20(7,8)14(2,3)4/h9-10,12-13H,11H2,1-8H3/t12-,13+,16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane?
tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane has a molecular weight of 298.50 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane is sourced from PubChem (CID 101096665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).