[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane

C17H32O4Si — CID 10520351

IUPAC[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CO[C@H]2[C@@H]1C[C@@H](OCC)O[C@@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-18-15-9-13-12(2)10-19-16(13)14(21-15)11-20-22(6,7)17(3,4)5/h13-16H,2,8-11H2,1,3-7H3/t13-,14-,15+,16+/m1/s1
InChIKeyWFMZAWJRFWYYGX-WCVJEAGWSA-N
MW328.53 g/mol
LogP3.73
Rot. Bonds5

About [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10520351) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10520351
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CO[C@H]2[C@@H]1C[C@@H](OCC)O[C@@H]2CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-8-18-15-9-13-12(2)10-19-16(13)14(21-15)11-20-22(6,7)17(3,4)5/h13-16H,2,8-11H2,1,3-7H3/t13-,14-,15+,16+/m1/s1
InChIKeyWFMZAWJRFWYYGX-WCVJEAGWSA-N
XLogP3.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(3aR,5S,7S,7aS)-7-(methoxymethoxy)-2,2-dimethyl-4-methylidene-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 11810483
tert-butyl-[[(1R,2S,6S,8R,9S)-3,12-dimethylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 135003162
5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
CID 20764067
tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
CID 22869106
tert-butyl-dimethyl-[[(2S,4S,5R,6S)-4,5,6-trimethoxy-3-methylideneoxan-2-yl]methoxy]silane
CID 69944761
Tert-butyl-[3-methoxy-5-(methoxymethyl)-2-methylidene-6-propoxyoxan-4-yl]oxy-dimethylsilane
CID 139790325
[(E)-[(1S,2S,6S,7R,9R)-7-(1-ethoxyethoxy)-4,4-dimethyl-3,5,8-trioxatricyclo[7.3.0.02,6]dodecan-12-ylidene]methyl]-trimethylsilane
CID 10044693
[(1S)-1-[(3aS,5S,7R,7aS)-5-ethoxy-2,2-dimethyl-3,3a,4,5,7,7a-hexahydrooxasilolo[5,4-c]pyran-7-yl]buta-2,3-dienyl] acetate
CID 10087784
tert-butyl-[[(1R,2R,3S,6S,8R,9S)-3-ethenyl-12-methylidene-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-dimethylsilane
CID 10594183
[(3Z,3aR,5S,7R,7aS)-5-ethoxy-3-(tributylstannylmethylidene)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10746394
[(3aR,5S,7R,7aS)-3-methylidene-5-(2-methylprop-2-enoxy)-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane
CID 10784349
tert-butyl-dimethyl-[[(1R,2R,3R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
CID 10785152

Frequently Asked Questions

What is the IUPAC name of [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane (CID 10520351) is [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane is C=C1CO[C@H]2[C@@H]1C[C@@H](OCC)O[C@@H]2CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WFMZAWJRFWYYGX-WCVJEAGWSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-8-18-15-9-13-12(2)10-19-16(13)14(21-15)11-20-22(6,7)17(3,4)5/h13-16H,2,8-11H2,1,3-7H3/t13-,14-,15+,16+/m1/s1.
What are the key properties of [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 328.53 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5S,7R,7aS)-5-ethoxy-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-7-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10520351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).