tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane

C13H26O3Si — CID 178070071

IUPACtert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1OC[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-10-12(11(14-5)9-15-10)16-17(6,7)13(2,3)4/h8,10-12H,1,9H2,2-7H3/t10-,11-,12-/m1/s1
InChIKeyRXZOXWZWRUTZJL-IJLUTSLNSA-N
MW258.43 g/mol
LogP2.98
Rot. Bonds4

About tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane (PubChem CID 178070071) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
PubChem CID178070071
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nametert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1OC[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-8-10-12(11(14-5)9-15-10)16-17(6,7)13(2,3)4/h8,10-12H,1,9H2,2-7H3/t10-,11-,12-/m1/s1
InChIKeyRXZOXWZWRUTZJL-IJLUTSLNSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.98
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

(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
CID 57231418
tert-butyl-[[(2S,3R)-2-ethenyl-3-methoxy-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134892749
tert-butyl-[(4-ethenyl-3-oxabicyclo[3.2.1]octan-2-yl)oxy]-dimethylsilane
CID 135039648
2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
CID 67291290
(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde
CID 154729224
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol
CID 101232089
[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 123169753
(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2-carbaldehyde
CID 168819907
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane (CID 178070071) is tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane is C=C[C@H]1OC[C@@H](OC)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane?
The InChIKey is RXZOXWZWRUTZJL-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-8-10-12(11(14-5)9-15-10)16-17(6,7)13(2,3)4/h8,10-12H,1,9H2,2-7H3/t10-,11-,12-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane has a molecular weight of 258.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 178070071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).