[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate

C30H64O5Si2 — CID 58822510

IUPAC[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
SMILESCCC(=O)OCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C30H64O5Si2/c1-18-26(31)33-20-23(4)27(34-36(14,15)29(7,8)9)21(2)19-22(3)28(24(5)25(6)32-13)35-37(16,17)30(10,11)12/h21-25,27-28H,18-20H2,1-17H3
InChIKeyQQTIQZQQHPWEFM-UHFFFAOYSA-N
MW561.01 g/mol
LogP8.69
Rot. Bonds15

About [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate

[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate (PubChem CID 58822510) has the molecular formula C30H64O5Si2 and a molecular weight of 561.01 g/mol. Its IUPAC name is [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate.

Molecular Properties

Compound Name[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
PubChem CID58822510
Molecular FormulaC30H64O5Si2
Molecular Weight561.01 g/mol
Exact Mass560.43
IUPAC Name[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate
SMILESCCC(=O)OCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C30H64O5Si2/c1-18-26(31)33-20-23(4)27(34-36(14,15)29(7,8)9)21(2)19-22(3)28(24(5)25(6)32-13)35-37(16,17)30(10,11)12/h21-25,27-28H,18-20H2,1-17H3
InChIKeyQQTIQZQQHPWEFM-UHFFFAOYSA-N
XLogP8.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.01
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate with MolForge

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Related Compounds

[5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-methoxybutan-2-yl)-2,4,6-trimethylheptoxy]-tert-butyl-dimethylsilane
CID 58822508
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
(3-hydroxy-2-methylbutyl) propanoate
CID 54448518
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 59279555
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(4R,5S,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8-trimethyldec-2-yn-5-ol
CID 25107660
[2-amino-3-[tert-butyl(dimethyl)silyl]oxybutyl] 2-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 176884346
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680
methyl (2R,3S,4S,6S,10S)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6,10-tetramethyl-7-oxoundecanoate
CID 23253285
ethyl (E,4R,5R,6R,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethyldec-2-enoate
CID 10949401
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449

Frequently Asked Questions

What is the IUPAC name of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate?
The IUPAC name of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate (CID 58822510) is [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate.
What is the SMILES notation for [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate?
The canonical SMILES for [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate is CCC(=O)OCC(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC.
What is the InChIKey of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate?
The InChIKey is QQTIQZQQHPWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O5Si2/c1-18-26(31)33-20-23(4)27(34-36(14,15)29(7,8)9)21(2)19-22(3)28(24(5)25(6)32-13)35-37(16,17)30(10,11)12/h21-25,27-28H,18-20H2,1-17H3.
What are the key properties of [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate?
[3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate has a molecular weight of 561.01 g/mol, XLogP of 8.69, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methoxy-2,4,6,8-tetramethyldecyl] propanoate is sourced from PubChem (CID 58822510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).