ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate

C29H58O6Si2 — CID 122217965

IUPACethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate
SMILESCCOC(=O)C(C)C(=O)CC(=O)C[C@H](CCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H58O6Si2/c1-13-33-27(32)23(2)26(31)22-24(30)21-25(35-37(11,12)29(6,7)8)19-17-15-14-16-18-20-34-36(9,10)28(3,4)5/h23,25H,13-22H2,1-12H3/t23?,25-/m0/s1
InChIKeyCPGVHEJVGWWGRE-YNMFNDETSA-N
MW558.95 g/mol
LogP7.86
Rot. Bonds18

About ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate

ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate (PubChem CID 122217965) has the molecular formula C29H58O6Si2 and a molecular weight of 558.95 g/mol. Its IUPAC name is ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate.

Molecular Properties

Compound Nameethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate
PubChem CID122217965
Molecular FormulaC29H58O6Si2
Molecular Weight558.95 g/mol
Exact Mass558.38
IUPAC Nameethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate
SMILESCCOC(=O)C(C)C(=O)CC(=O)C[C@H](CCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H58O6Si2/c1-13-33-27(32)23(2)26(31)22-24(30)21-25(35-37(11,12)29(6,7)8)19-17-15-14-16-18-20-34-36(9,10)28(3,4)5/h23,25H,13-22H2,1-12H3/t23?,25-/m0/s1
InChIKeyCPGVHEJVGWWGRE-YNMFNDETSA-N
XLogP7.86
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.95
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
[(6S)-16-[tert-butyl(dimethyl)silyl]oxyhexadecan-6-yl] acetate
CID 10669508
5-[tert-butyl(dimethyl)silyl]oxypentyl 2-hexyldecanoate
CID 171051892
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
tert-butyl-dimethyl-(13-methylpentadecoxy)silane
CID 6430276
methyl 16-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526817
methyl 12-[tert-butyl(dimethyl)silyl]oxynonadecanoate
CID 526837
methyl 10-[tert-butyl(dimethyl)silyl]oxyheptadecanoate
CID 526836
8-[tert-butyl(dimethyl)silyl]oxy-2-(methylamino)octanoic acid
CID 142782912
[6-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyhexan-2-yl] acetate
CID 102354775
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213

Frequently Asked Questions

What is the IUPAC name of ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate?
The IUPAC name of ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate (CID 122217965) is ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate.
What is the SMILES notation for ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate?
The canonical SMILES for ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate is CCOC(=O)C(C)C(=O)CC(=O)C[C@H](CCCCCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate?
The InChIKey is CPGVHEJVGWWGRE-YNMFNDETSA-N. The full InChI is InChI=1S/C29H58O6Si2/c1-13-33-27(32)23(2)26(31)22-24(30)21-25(35-37(11,12)29(6,7)8)19-17-15-14-16-18-20-34-36(9,10)28(3,4)5/h23,25H,13-22H2,1-12H3/t23?,25-/m0/s1.
What are the key properties of ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate?
ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate has a molecular weight of 558.95 g/mol, XLogP of 7.86, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7S)-7,14-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-3,5-dioxotetradecanoate is sourced from PubChem (CID 122217965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).