[(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

C19H34O5Si — CID 101490072

IUPAC[(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)OCC(C2=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C19H34O5Si/c1-17(2,3)25(8,9)24-13-10-12(14-11-20-18(4,5)21-14)15-16(13)23-19(6,7)22-15/h10,13-16H,11H2,1-9H3/t13-,14?,15-,16+/m0/s1
InChIKeyFRMGREDLYVAMKP-HNSVSWJLSA-N
MW370.56 g/mol
LogP3.99
Rot. Bonds3

About [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

[(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101490072) has the molecular formula C19H34O5Si and a molecular weight of 370.56 g/mol. Its IUPAC name is [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101490072
Molecular FormulaC19H34O5Si
Molecular Weight370.56 g/mol
Exact Mass370.22
IUPAC Name[(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)OCC(C2=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C19H34O5Si/c1-17(2,3)25(8,9)24-13-10-12(14-11-20-18(4,5)21-14)15-16(13)23-19(6,7)22-15/h10,13-16H,11H2,1-9H3/t13-,14?,15-,16+/m0/s1
InChIKeyFRMGREDLYVAMKP-HNSVSWJLSA-N
XLogP3.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.99
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 [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (CID 101490072) is [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is CC1(C)OCC(C2=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3OC(C)(C)O[C@@H]23)O1.
What is the InChIKey of [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FRMGREDLYVAMKP-HNSVSWJLSA-N. The full InChI is InChI=1S/C19H34O5Si/c1-17(2,3)25(8,9)24-13-10-12(14-11-20-18(4,5)21-14)15-16(13)23-19(6,7)22-15/h10,13-16H,11H2,1-9H3/t13-,14?,15-,16+/m0/s1.
What are the key properties of [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 370.56 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101490072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).