(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C17H32O5Si — CID 10970003

IUPAC(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=C[C@@]1(O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C17H32O5Si/c1-9-17(18)12(10-11-19-23(7,8)15(2,3)4)20-14-13(17)21-16(5,6)22-14/h9,12-14,18H,1,10-11H2,2-8H3/t12-,13+,14-,17-/m1/s1
InChIKeyVIFJOKWOHASKCN-UMPJEAMMSA-N
MW344.52 g/mol
LogP3.19
Rot. Bonds5

About (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 10970003) has the molecular formula C17H32O5Si and a molecular weight of 344.52 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID10970003
Molecular FormulaC17H32O5Si
Molecular Weight344.52 g/mol
Exact Mass344.20
IUPAC Name(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESC=C[C@@]1(O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C17H32O5Si/c1-9-17(18)12(10-11-19-23(7,8)15(2,3)4)20-14-13(17)21-16(5,6)22-14/h9,12-14,18H,1,10-11H2,2-8H3/t12-,13+,14-,17-/m1/s1
InChIKeyVIFJOKWOHASKCN-UMPJEAMMSA-N
XLogP3.19
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 10970003) is (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is C=C[C@@]1(O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is VIFJOKWOHASKCN-UMPJEAMMSA-N. The full InChI is InChI=1S/C17H32O5Si/c1-9-17(18)12(10-11-19-23(7,8)15(2,3)4)20-14-13(17)21-16(5,6)22-14/h9,12-14,18H,1,10-11H2,2-8H3/t12-,13+,14-,17-/m1/s1.
What are the key properties of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 344.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-ethenyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 10970003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).