tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane

C13H26O3Si — CID 10777632

IUPACtert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
SMILESC=C1C[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-10-8-12(14-5)16-11(10)9-15-17(6,7)13(2,3)4/h11-12H,1,8-9H2,2-7H3/t11-,12+/m1/s1
InChIKeyYWMSVZDHXDVKEQ-NEPJUHHUSA-N
MW258.43 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane (PubChem CID 10777632) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
PubChem CID10777632
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Nametert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane
SMILESC=C1C[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-10-8-12(14-5)16-11(10)9-15-17(6,7)13(2,3)4/h11-12H,1,8-9H2,2-7H3/t11-,12+/m1/s1
InChIKeyYWMSVZDHXDVKEQ-NEPJUHHUSA-N
XLogP3.33
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 ≤ 53.33
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-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 135039842
rel-tert-butyl{[(2R,5S)-5-methoxy-3-methylenetetrahydrofuran-2-yl]methoxy}dimethylsilane
CID 639484
[(3aR,5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 10335002
[(5S,6aR)-2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 58659688
(6aR,9aS)-8-methoxy-9-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 69925358
Tert-butyl-[(2,2-dimethyl-6-methylidene-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]-dimethylsilane
CID 72384888
(1S,6S,8S)-3,3-ditert-butyl-8-methoxy-9-methylidene-2,4,7-trioxa-3-silabicyclo[4.2.1]nonane
CID 10990245
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11369681
tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl](313C)prop-2-enoxy]-dimethylsilane
CID 11482710
tert-butyl-[(Z)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
CID 14703128
tert-butyl-[(E)-[(2S,4S,5S)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
CID 14703129
tert-butyl-[(E)-[(2S,4R,5R)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-5-methoxy-4-methyloxolan-3-ylidene]methoxy]-dimethylsilane
CID 14703130

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane (CID 10777632) is tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane is C=C1C[C@@H](OC)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane?
The InChIKey is YWMSVZDHXDVKEQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10-8-12(14-5)16-11(10)9-15-17(6,7)13(2,3)4/h11-12H,1,8-9H2,2-7H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 258.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5S)-5-methoxy-3-methylideneoxolan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10777632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).