[(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

C15H28O3Si — CID 11055214

IUPAC[(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC(O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H28O3Si/c1-10-9-11(18-19(7,8)14(2,3)4)13-12(10)16-15(5,6)17-13/h11-13H,1,9H2,2-8H3/t11?,12-,13+/m1/s1
InChIKeyCDEXUKSOLDVGMN-HDYSRYHKSA-N
MW284.47 g/mol
LogP3.86
Rot. Bonds2

About [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane

[(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11055214) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11055214
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC(O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H28O3Si/c1-10-9-11(18-19(7,8)14(2,3)4)13-12(10)16-15(5,6)17-13/h11-13H,1,9H2,2-8H3/t11?,12-,13+/m1/s1
InChIKeyCDEXUKSOLDVGMN-HDYSRYHKSA-N
XLogP3.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane (CID 11055214) is [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is C=C1CC(O[Si](C)(C)C(C)(C)C)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CDEXUKSOLDVGMN-HDYSRYHKSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-10-9-11(18-19(7,8)14(2,3)4)13-12(10)16-15(5,6)17-13/h11-13H,1,9H2,2-8H3/t11?,12-,13+/m1/s1.
What are the key properties of [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2,2-dimethyl-4-methylidene-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11055214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).