tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

C19H36O5Si — CID 56930364

IUPACtert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC=C1COC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-13-11-20-18(5,6)23-15(13)16-14(22-19(7,8)24-16)12-21-25(9,10)17(2,3)4/h14-16H,1,11-12H2,2-10H3/t14-,15+,16+/m0/s1
InChIKeyZZVGTKGEURLMAW-ARFHVFGLSA-N
MW372.58 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane

tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (PubChem CID 56930364) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
PubChem CID56930364
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Nametert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
SMILESC=C1COC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-13-11-20-18(5,6)23-15(13)16-14(22-19(7,8)24-16)12-21-25(9,10)17(2,3)4/h14-16H,1,11-12H2,2-10H3/t14-,15+,16+/m0/s1
InChIKeyZZVGTKGEURLMAW-ARFHVFGLSA-N
XLogP4.24
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.24
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 tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane (CID 56930364) is tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is C=C1COC(C)(C)O[C@H]1[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
The InChIKey is ZZVGTKGEURLMAW-ARFHVFGLSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-13-11-20-18(5,6)23-15(13)16-14(22-19(7,8)24-16)12-21-25(9,10)17(2,3)4/h14-16H,1,11-12H2,2-10H3/t14-,15+,16+/m0/s1.
What are the key properties of tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane has a molecular weight of 372.58 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5S)-5-[(4R)-2,2-dimethyl-5-methylidene-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 56930364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).