[(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

C18H34O5Si — CID 10959299

IUPAC[(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@]1(OC)O[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H34O5Si/c1-11-18(19-8)14-13(21-16(5,6)22-14)17(7,23-18)12-20-24(9,10)15(2,3)4/h11,13-14H,1,12H2,2-10H3/t13-,14+,17+,18-/m0/s1
InChIKeySZXOYTIVKQDVEG-JFTQMJAMSA-N
MW358.55 g/mol
LogP3.85
Rot. Bonds5

About [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10959299) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10959299
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name[(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@]1(OC)O[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H34O5Si/c1-11-18(19-8)14-13(21-16(5,6)22-14)17(7,23-18)12-20-24(9,10)15(2,3)4/h11,13-14H,1,12H2,2-10H3/t13-,14+,17+,18-/m0/s1
InChIKeySZXOYTIVKQDVEG-JFTQMJAMSA-N
XLogP3.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 10959299) is [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is C=C[C@]1(OC)O[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is SZXOYTIVKQDVEG-JFTQMJAMSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-11-18(19-8)14-13(21-16(5,6)22-14)17(7,23-18)12-20-24(9,10)15(2,3)4/h11,13-14H,1,12H2,2-10H3/t13-,14+,17+,18-/m0/s1.
What are the key properties of [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 358.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6R,6aS)-4-ethenyl-4-methoxy-2,2,6-trimethyl-3a,6a-dihydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10959299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).