[(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane

C18H34O4Si — CID 10947876

IUPAC[(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C\C[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H34O4Si/c1-9-10-11-12-13-14-15(21-18(5,6)20-14)16(19-13)22-23(7,8)17(2,3)4/h10-11,13-16H,9,12H2,1-8H3/b11-10-/t13-,14-,15-,16+/m0/s1
InChIKeyMQDKARXVBPPASQ-KDLIKWMJSA-N
MW342.55 g/mol
LogP4.61
Rot. Bonds5

About [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane

[(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10947876) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10947876
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name[(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC/C=C\C[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H34O4Si/c1-9-10-11-12-13-14-15(21-18(5,6)20-14)16(19-13)22-23(7,8)17(2,3)4/h10-11,13-16H,9,12H2,1-8H3/b11-10-/t13-,14-,15-,16+/m0/s1
InChIKeyMQDKARXVBPPASQ-KDLIKWMJSA-N
XLogP4.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.61
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'}

Analyze [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane (CID 10947876) is [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane is CC/C=C\C[C@@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MQDKARXVBPPASQ-KDLIKWMJSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-9-10-11-12-13-14-15(21-18(5,6)20-14)16(19-13)22-23(7,8)17(2,3)4/h10-11,13-16H,9,12H2,1-8H3/b11-10-/t13-,14-,15-,16+/m0/s1.
What are the key properties of [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 342.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6S,6aS)-2,2-dimethyl-6-[(Z)-pent-2-enyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10947876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).