[(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

C17H32O4Si — CID 11023955

IUPAC[(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-9-10-11-12-13(21-22(7,8)16(2,3)4)14-15(18-12)20-17(5,6)19-14/h9,12-15H,1,10-11H2,2-8H3/t12-,13+,14-,15-/m1/s1
InChIKeyMWSIBYXERAQZCA-LXTVHRRPSA-N
MW328.53 g/mol
LogP4.22
Rot. Bonds5

About [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

[(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11023955) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11023955
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name[(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESC=CCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-9-10-11-12-13(21-22(7,8)16(2,3)4)14-15(18-12)20-17(5,6)19-14/h9,12-15H,1,10-11H2,2-8H3/t12-,13+,14-,15-/m1/s1
InChIKeyMWSIBYXERAQZCA-LXTVHRRPSA-N
XLogP4.22
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 ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (CID 11023955) is [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is C=CCC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MWSIBYXERAQZCA-LXTVHRRPSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-9-10-11-12-13(21-22(7,8)16(2,3)4)14-15(18-12)20-17(5,6)19-14/h9,12-15H,1,10-11H2,2-8H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 328.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aR)-5-but-3-enyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11023955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).