[(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane

C14H26O3Si — CID 102460121

IUPAC[(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]2OCC=C[C@H]2O1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)16-10-11-9-13-12(17-11)7-6-8-15-13/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m0/s1
InChIKeyJWZTXASASPWXLW-YNEHKIRRSA-N
MW270.44 g/mol
LogP3.12
Rot. Bonds3

About [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102460121) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID102460121
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]2OCC=C[C@H]2O1
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)16-10-11-9-13-12(17-11)7-6-8-15-13/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m0/s1
InChIKeyJWZTXASASPWXLW-YNEHKIRRSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.12
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

[(1R,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
[(2R,3aR,7aR)-2-ethenyl-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 60202927
Tert-butyl-dimethyl-[(5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)methoxy]silane
CID 72682513
Cbvgbhmdzrxjbz-uhfffaoysa-
CID 23254712
CID 69884661
CID 69884661
(5-Ethoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-diethylsilane
CID 154428055
[(3aR,4R,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 11448993
(5aR,9aS)-2,2-dimethyl-3,5a,7,8,9,9a-hexahydropyrano[2,3-f]oxasilepine
CID 11458284
(1R,2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 60202920
(1R,2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 60203811
tert-butyl-dimethyl-[[(1R,4R,5R)-5-prop-2-enoxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy]silane
CID 60203813
tert-butyl-[[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl]oxy]-dimethylsilane
CID 101462851

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 102460121) is [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H]2OCC=C[C@H]2O1.
What is the InChIKey of [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is JWZTXASASPWXLW-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(4,5)16-10-11-9-13-12(17-11)7-6-8-15-13/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m0/s1.
What are the key properties of [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 270.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,7aR)-3,3a,5,7a-tetrahydro-2H-furo[3,2-b]pyran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102460121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).