tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate

C30H62O4Si2 — CID 101165407

IUPACtert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)(C)[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H62O4Si2/c1-19-22(2)26(34-36(17,18)29(10,11)12)23(3)21-30(13,14)24(20-25(31)32-27(4,5)6)33-35(15,16)28(7,8)9/h19,22-24,26H,1,20-21H2,2-18H3/t22-,23+,24-,26+/m0/s1
InChIKeyAMCAGSWUMYNPOP-CONSUNNSSA-N
MW542.99 g/mol
LogP9.37
Rot. Bonds12

About tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate

tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate (PubChem CID 101165407) has the molecular formula C30H62O4Si2 and a molecular weight of 542.99 g/mol. Its IUPAC name is tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate.

Molecular Properties

Compound Nametert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate
PubChem CID101165407
Molecular FormulaC30H62O4Si2
Molecular Weight542.99 g/mol
Exact Mass542.42
IUPAC Nametert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate
SMILESC=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)(C)[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H62O4Si2/c1-19-22(2)26(34-36(17,18)29(10,11)12)23(3)21-30(13,14)24(20-25(31)32-27(4,5)6)33-35(15,16)28(7,8)9/h19,22-24,26H,1,20-21H2,2-18H3/t22-,23+,24-,26+/m0/s1
InChIKeyAMCAGSWUMYNPOP-CONSUNNSSA-N
XLogP9.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.99
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate?
The IUPAC name of tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate (CID 101165407) is tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate.
What is the SMILES notation for tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate?
The canonical SMILES for tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate is C=C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC(C)(C)[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate?
The InChIKey is AMCAGSWUMYNPOP-CONSUNNSSA-N. The full InChI is InChI=1S/C30H62O4Si2/c1-19-22(2)26(34-36(17,18)29(10,11)12)23(3)21-30(13,14)24(20-25(31)32-27(4,5)6)33-35(15,16)28(7,8)9/h19,22-24,26H,1,20-21H2,2-18H3/t22-,23+,24-,26+/m0/s1.
What are the key properties of tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate?
tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate has a molecular weight of 542.99 g/mol, XLogP of 9.37, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyldec-9-enoate is sourced from PubChem (CID 101165407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).