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

C14H26O3Si — CID 10754547

IUPAC[(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](C=C[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(6,7)17-11-9-8-10-12(11)16-14(4,5)15-10/h8-12H,1-7H3/t10-,11-,12-/m0/s1
InChIKeyPUNXUQIRURKBLF-SRVKXCTJSA-N
MW270.44 g/mol
LogP3.47
Rot. Bonds2

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

[(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10754547) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10754547
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](C=C[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-13(2,3)18(6,7)17-11-9-8-10-12(11)16-14(4,5)15-10/h8-12H,1-7H3/t10-,11-,12-/m0/s1
InChIKeyPUNXUQIRURKBLF-SRVKXCTJSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.47
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'}

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

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Related Compounds

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 10755509
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
1,4-Dioxaspiro[4.4]non-8-en-9-ylmethyl(trimethyl)silane
CID 15134696
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
(S,E)-tert-butyl((3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylallyl)oxy)dimethylsilane
CID 92136076
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole
CID 102031096
(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one
CID 102273506
[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-triethylsilane
CID 134851327

Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane (CID 10754547) is [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2[C@H](C=C[C@@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is PUNXUQIRURKBLF-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-13(2,3)18(6,7)17-11-9-8-10-12(11)16-14(4,5)15-10/h8-12H,1-7H3/t10-,11-,12-/m0/s1.
What are the key properties of [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 270.44 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10754547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).