(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane

C74H116O14Si4 — CID 157071064

IUPAC(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane
SMILESC#C[C@@H](OCOC)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1.COCO[C@H](C#CC(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H58O7Si2.C23H30O3Si.C14H28O4Si/c1-28(44-46(36(5,6)7,29-19-15-13-16-20-29)30-21-17-14-18-22-30)32(40-27-39-10)24-23-31(38)34-33(42-37(8,9)43-34)25-26-41-45(11,12)35(2,3)4;1-7-22(25-18-24-6)19(2)26-27(23(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21;1-13(2,3)19(6,7)16-9-8-11-12(10-15)18-14(4,5)17-11/h13-22,28,31-34,38H,25-27H2,1-12H3;1,8-17,19,22H,18H2,2-6H3;10-12H,8-9H2,1-7H3/t28-,31?,32+,33-,34+;19-,22+;11-,12+/m000/s1
InChIKeyACKYVNJLJDQPFT-BZDVQYLSSA-N
MW1342.07 g/mol
LogP12.93
Rot. Bonds26

About (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane

(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane (PubChem CID 157071064) has the molecular formula C74H116O14Si4 and a molecular weight of 1342.07 g/mol. Its IUPAC name is (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Name(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane
PubChem CID157071064
Molecular FormulaC74H116O14Si4
Molecular Weight1342.07 g/mol
Exact Mass1340.74
IUPAC Name(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane
SMILESC#C[C@@H](OCOC)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1.COCO[C@H](C#CC(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C37H58O7Si2.C23H30O3Si.C14H28O4Si/c1-28(44-46(36(5,6)7,29-19-15-13-16-20-29)30-21-17-14-18-22-30)32(40-27-39-10)24-23-31(38)34-33(42-37(8,9)43-34)25-26-41-45(11,12)35(2,3)4;1-7-22(25-18-24-6)19(2)26-27(23(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21;1-13(2,3)19(6,7)16-9-8-11-12(10-15)18-14(4,5)17-11/h13-22,28,31-34,38H,25-27H2,1-12H3;1,8-17,19,22H,18H2,2-6H3;10-12H,8-9H2,1-7H3/t28-,31?,32+,33-,34+;19-,22+;11-,12+/m000/s1
InChIKeyACKYVNJLJDQPFT-BZDVQYLSSA-N
XLogP12.93
TPSA148.06 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001342.07
LogP ≤ 512.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane with MolForge

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Related Compounds

(5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750450
2-[(4S,5R)-5-[(4R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylhex-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl 2,2-dimethylpropanoate
CID 58750338
2-[(4S,5R)-5-[(4R,5S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-4-methylhex-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl 2,2-dimethylpropanoate
CID 88956835
2-[(4S,5S)-5-[(Z,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl 2,2-dimethylpropanoate
CID 88956836
[(4R,5S)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)hex-2-enyl] benzoate
CID 91491485
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
[(Z,2S,3R)-6-benzoyloxy-6-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyhex-4-en-2-yl] benzoate
CID 59466703
tert-butyl-[(Z,2S,3S)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5S)-5-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methylhex-4-en-2-yl]oxy-diphenylsilane
CID 59466687
[(Z,4R,5S)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)hex-2-enyl] benzoate;[(Z,4R,5S)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(methoxymethoxy)hex-2-enyl] benzoate
CID 162131182
[(2R,3R)-3-benzyl-5,5-dibromopentan-2-yl]oxy-tert-butyl-diphenylsilane;2-trimethylsilylethyl 2-[(E)-3-[(4S,5R)-5-[(4R,5S)-4-benzyl-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyhex-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-4-methoxy-6-(methoxymethoxy)benzoate;2-trimethylsilylethyl 2-[(E)-3-[(4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-enyl]-4-methoxy-6-(methoxymethoxy)benzoate
CID 161001243
(Z,5R)-1-[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(4-methoxyphenyl)methoxy]hex-2-en-1-ol
CID 70843714
(S)-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
CID 101493912

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane?
The IUPAC name of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane (CID 157071064) is (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane.
What is the SMILES notation for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane?
The canonical SMILES for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane is C#C[C@@H](OCOC)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC1(C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](C=O)O1.COCO[C@H](C#CC(O)[C@H]1OC(C)(C)O[C@H]1CCO[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane?
The InChIKey is ACKYVNJLJDQPFT-BZDVQYLSSA-N. The full InChI is InChI=1S/C37H58O7Si2.C23H30O3Si.C14H28O4Si/c1-28(44-46(36(5,6)7,29-19-15-13-16-20-29)30-21-17-14-18-22-30)32(40-27-39-10)24-23-31(38)34-33(42-37(8,9)43-34)25-26-41-45(11,12)35(2,3)4;1-7-22(25-18-24-6)19(2)26-27(23(3,4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21;1-13(2,3)19(6,7)16-9-8-11-12(10-15)18-14(4,5)17-11/h13-22,28,31-34,38H,25-27H2,1-12H3;1,8-17,19,22H,18H2,2-6H3;10-12H,8-9H2,1-7H3/t28-,31?,32+,33-,34+;19-,22+;11-,12+/m000/s1.
What are the key properties of (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane?
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane has a molecular weight of 1342.07 g/mol, XLogP of 12.93, 26 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde;(4R,5S)-1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)hex-2-yn-1-ol;tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-yn-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 157071064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).