[(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane

C17H28O3Si — CID 134833055

IUPAC[(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane
SMILESC#CC1=CC[C@H]2OC(C)(C)O[C@@]12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-9-13-10-11-14-17(13,20-16(5,6)19-14)12-18-21(7,8)15(2,3)4/h1,10,14H,11-12H2,2-8H3/t14-,17+/m1/s1
InChIKeyADOQVUPTRPGZAZ-PBHICJAKSA-N
MW308.49 g/mol
LogP3.86
Rot. Bonds3

About [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134833055) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134833055
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name[(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane
SMILESC#CC1=CC[C@H]2OC(C)(C)O[C@@]12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-9-13-10-11-14-17(13,20-16(5,6)19-14)12-18-21(7,8)15(2,3)4/h1,10,14H,11-12H2,2-8H3/t14-,17+/m1/s1
InChIKeyADOQVUPTRPGZAZ-PBHICJAKSA-N
XLogP3.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
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': 'triple_bond', 'substructure': 'N/A'}

Analyze [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(3R)-1-[(3aR,6aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-4-yl]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-4,5-dien-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 134833386
tert-butyl-[[(1R,3S,6E,12S)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxatricyclo[8.3.0.01,3]trideca-6,10-dien-4,8-diyn-12-yl]oxy]-dimethylsilane
CID 134978127
tert-butyl-dimethyl-[[(5R,7R)-2,2,9-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 135040498
tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
CID 11080876
tert-butyl-[[(1R,3S,6E,12S)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxatricyclo[8.3.0.01,3]trideca-6,10-dien-4,8-diyn-12-yl]oxy]-dimethylsilane
CID 11383996
[(3aS,6S,6aS)-4-ethynyl-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-trimethylsilane
CID 71623383
tert-butyl-[[(1R,3S,6E,12S)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxatricyclo[8.3.0.01,3]trideca-6,10-dien-4,8-diyn-12-yl]oxy]-dimethylsilane
CID 101029128
tert-butyl-dimethyl-[[(4S,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 101096665
tert-butyl-dimethyl-[[(4R,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 101096666
tert-butyl-dimethyl-[[(4R,5R,7S)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 101096667
tert-butyl-dimethyl-[[(4S,5S,7R)-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-8-en-7-yl]oxy]silane
CID 101096668
tert-butyl-[[(1R,3S,12S)-7-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxatricyclo[8.3.0.01,3]tridec-10-en-4,8-diyn-12-yl]oxy]-dimethylsilane
CID 101174667

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane (CID 134833055) is [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane is C#CC1=CC[C@H]2OC(C)(C)O[C@@]12CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ADOQVUPTRPGZAZ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-9-13-10-11-14-17(13,20-16(5,6)19-14)12-18-21(7,8)15(2,3)4/h1,10,14H,11-12H2,2-8H3/t14-,17+/m1/s1.
What are the key properties of [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 308.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-4-ethynyl-2,2-dimethyl-6,6a-dihydrocyclopenta[d][1,3]dioxol-3a-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134833055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).