[(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

C19H34O4Si — CID 10784349

IUPAC[(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
SMILESC=C(C)CO[C@@H]1C[C@@H]2C(=C)CO[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H34O4Si/c1-13(2)10-20-17-9-15-14(3)11-21-18(15)16(23-17)12-22-24(7,8)19(4,5)6/h15-18H,1,3,9-12H2,2,4-8H3/t15-,16-,17+,18+/m1/s1
InChIKeyAJUJRGPORBMUKO-BDXSIMOUSA-N
MW354.56 g/mol
LogP4.29
Rot. Bonds6

About [(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

[(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 (PubChem CID 10784349) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID10784349
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name[(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
SMILESC=C(C)CO[C@@H]1C[C@@H]2C(=C)CO[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H34O4Si/c1-13(2)10-20-17-9-15-14(3)11-21-18(15)16(23-17)12-22-24(7,8)19(4,5)6/h15-18H,1,3,9-12H2,2,4-8H3/t15-,16-,17+,18+/m1/s1
InChIKeyAJUJRGPORBMUKO-BDXSIMOUSA-N
XLogP4.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.29
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
[(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
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
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)-3-methylidene-5-(2-methylprop-2-enoxy)-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)-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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C=C(C)CO[C@@H]1C[C@@H]2C(=C)CO[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(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?
The InChIKey is AJUJRGPORBMUKO-BDXSIMOUSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-13(2)10-20-17-9-15-14(3)11-21-18(15)16(23-17)12-22-24(7,8)19(4,5)6/h15-18H,1,3,9-12H2,2,4-8H3/t15-,16-,17+,18+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 354.56 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 10784349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).