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

C27H54O6Si2 — CID 10918474

IUPACtert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C27H54O6Si2/c1-16-17-19(32-34(12,13)24(2,3)4)22(33-35(14,15)25(5,6)7)23-21(30-27(10,11)31-23)20-18-28-26(8,9)29-20/h16,19-23H,1,17-18H2,2-15H3/t19-,20+,21+,22-,23-/m0/s1
InChIKeyBFQAXCOYSSBDAT-NQQQLTFYSA-N
MW530.90 g/mol
LogP7.01
Rot. Bonds9

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

tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane (PubChem CID 10918474) has the molecular formula C27H54O6Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
PubChem CID10918474
Molecular FormulaC27H54O6Si2
Molecular Weight530.90 g/mol
Exact Mass530.35
IUPAC Nametert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C27H54O6Si2/c1-16-17-19(32-34(12,13)24(2,3)4)22(33-35(14,15)25(5,6)7)23-21(30-27(10,11)31-23)20-18-28-26(8,9)29-20/h16,19-23H,1,17-18H2,2-15H3/t19-,20+,21+,22-,23-/m0/s1
InChIKeyBFQAXCOYSSBDAT-NQQQLTFYSA-N
XLogP7.01
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.90
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[(E,2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-4-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 44515760
1-[(4S,5S)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841869
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
1-[(4S,5R)-5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 134841998
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842068
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
trimethyl-[2-[[(1R)-1-[(5R)-5-[(2R)-5-[(1R)-1-(2-trimethylsilylethoxymethoxy)tridec-12-enyl]oxolan-2-yl]oxolan-2-yl]undecoxy]methoxy]ethyl]silane
CID 134901649
[(3aR,4R,6R,6aS)-2,2-dimethyl-6-(2-methylprop-2-enyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134931288
[(3aR,4R,6S,6aS)-2,2-dimethyl-6-(2-methylprop-2-enyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134931378
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane (CID 10918474) is tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
The InChIKey is BFQAXCOYSSBDAT-NQQQLTFYSA-N. The full InChI is InChI=1S/C27H54O6Si2/c1-16-17-19(32-34(12,13)24(2,3)4)22(33-35(14,15)25(5,6)7)23-21(30-27(10,11)31-23)20-18-28-26(8,9)29-20/h16,19-23H,1,17-18H2,2-15H3/t19-,20+,21+,22-,23-/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane?
tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane has a molecular weight of 530.90 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 10918474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).