tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane

C26H54O5Si2 — CID 10940077

IUPACtert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C26H54O5Si2/c1-16-20(17-18-28-32(12,13)24(3,4)5)22(27-11)23(31-33(14,15)25(6,7)8)21-19(2)29-26(9,10)30-21/h16,19-23H,1,17-18H2,2-15H3/t19-,20+,21+,22+,23+/m1/s1
InChIKeyIJDVTFYUZZMQIX-QCBQRGATSA-N
MW502.89 g/mol
LogP7.15
Rot. Bonds11

About tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane

tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane (PubChem CID 10940077) has the molecular formula C26H54O5Si2 and a molecular weight of 502.89 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
PubChem CID10940077
Molecular FormulaC26H54O5Si2
Molecular Weight502.89 g/mol
Exact Mass502.35
IUPAC Nametert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C26H54O5Si2/c1-16-20(17-18-28-32(12,13)24(3,4)5)22(27-11)23(31-33(14,15)25(6,7)8)21-19(2)29-26(9,10)30-21/h16,19-23H,1,17-18H2,2-15H3/t19-,20+,21+,22+,23+/m1/s1
InChIKeyIJDVTFYUZZMQIX-QCBQRGATSA-N
XLogP7.15
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.89
LogP ≤ 57.15
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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Related Compounds

[(2S)-3-[(2S,3S)-5-butoxy-3-ethenyloxolan-2-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
CID 11222033
[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
CID 11304093
tert-butyl-[(1S,3S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethynyl-3-triethylsilyloxyhept-6-enoxy]-dimethylsilane
CID 101154481
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841870
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841871
tert-butyl-[(2S)-5-[(5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841955
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842437
tert-butyl-[(2S)-1-[(2R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940113
tert-butyl-[(2S)-1-[(4R)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-methyl-1,5,7-trioxaspiro[5.5]undecan-4-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940115
(2R,3S,4S,5S,7R,9R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,9,10-trimethyl-3-propan-2-yloxy-7-tri(propan-2-yl)silyloxyundec-10-ene-4,5-diol
CID 134971558
[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
tert-butyl-[[(4S,6R,8S,10R,13S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-10-prop-2-enyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]-dimethylsilane
CID 135053802

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane (CID 10940077) is tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane is C=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The InChIKey is IJDVTFYUZZMQIX-QCBQRGATSA-N. The full InChI is InChI=1S/C26H54O5Si2/c1-16-20(17-18-28-32(12,13)24(3,4)5)22(27-11)23(31-33(14,15)25(6,7)8)21-19(2)29-26(9,10)30-21/h16,19-23H,1,17-18H2,2-15H3/t19-,20+,21+,22+,23+/m1/s1.
What are the key properties of tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane has a molecular weight of 502.89 g/mol, XLogP of 7.15, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10940077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).