tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane

C16H32O3Si — CID 134842406

IUPACtert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1O[C@@H](CC)[C@H](OC)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-12-14(17-6)11-15(13(10-2)18-12)19-20(7,8)16(3,4)5/h10,12-15H,2,9,11H2,1,3-8H3/t12-,13+,14+,15-/m0/s1
InChIKeyVACSLBLALFINGR-YJNKXOJESA-N
MW300.52 g/mol
LogP4.15
Rot. Bonds5

About tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane (PubChem CID 134842406) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
PubChem CID134842406
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Nametert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1O[C@@H](CC)[C@H](OC)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-9-12-14(17-6)11-15(13(10-2)18-12)19-20(7,8)16(3,4)5/h10,12-15H,2,9,11H2,1,3-8H3/t12-,13+,14+,15-/m0/s1
InChIKeyVACSLBLALFINGR-YJNKXOJESA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.15
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'}

Analyze tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,3R)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 12192985
tert-butyl-[1-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-6-propyloxan-2-yl]propan-2-yloxy]-dimethylsilane
CID 101185877
tert-butyl-dimethyl-[(2R,3S,6R)-4-methylidene-2,6-bis[(E)-prop-1-enyl]oxan-3-yl]oxysilane
CID 101185879
tert-butyl-[(2R,3S)-2-ethenyloxan-3-yl]oxy-dimethylsilane
CID 11096805
(4aR,8R,8aS)-2,2-ditert-butyl-8-non-1-en-2-yloxy-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 11429790
tert-butyl-[(2S)-1-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 11515310
tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
2-[6-Allyl-3-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl]ethoxy]-tert-butyldimethylsilane
CID 46894694
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
CID 56593730
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
[(2S,4S,6R)-2-[(Z)-2-butoxyethenyl]-6-ethenyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 101556891

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane (CID 134842406) is tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane is C=C[C@H]1O[C@@H](CC)[C@H](OC)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane?
The InChIKey is VACSLBLALFINGR-YJNKXOJESA-N. The full InChI is InChI=1S/C16H32O3Si/c1-9-12-14(17-6)11-15(13(10-2)18-12)19-20(7,8)16(3,4)5/h10,12-15H,2,9,11H2,1,3-8H3/t12-,13+,14+,15-/m0/s1.
What are the key properties of tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane has a molecular weight of 300.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134842406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).