2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane

C17H32O4Si — CID 11110273

IUPAC2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C
InChIInChI=1S/C17H32O4Si/c1-11(10-18-22(8,9)16(3,4)5)13-12(2)14-15(19-13)21-17(6,7)20-14/h12-15H,1,10H2,2-9H3/t12-,13-,14-,15-/m1/s1
InChIKeyBLJINEBUUJUBLO-KBUPBQIOSA-N
MW328.53 g/mol
LogP4.08
Rot. Bonds4

About 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane

2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane (PubChem CID 11110273) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane
PubChem CID11110273
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C
InChIInChI=1S/C17H32O4Si/c1-11(10-18-22(8,9)16(3,4)5)13-12(2)14-15(19-13)21-17(6,7)20-14/h12-15H,1,10H2,2-9H3/t12-,13-,14-,15-/m1/s1
InChIKeyBLJINEBUUJUBLO-KBUPBQIOSA-N
XLogP4.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.08
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 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane (CID 11110273) is 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane is C=C(CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1C.
What is the InChIKey of 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
The InChIKey is BLJINEBUUJUBLO-KBUPBQIOSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-11(10-18-22(8,9)16(3,4)5)13-12(2)14-15(19-13)21-17(6,7)20-14/h12-15H,1,10H2,2-9H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane?
2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane has a molecular weight of 328.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,5S,6R,6aR)-2,2,6-trimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11110273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).