7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid

C13H24O5Si — CID 101495893

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid
SMILESCC(C)(C)[Si](C)(C)OCC#CC(O)C(O)CC(=O)O
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-8-6-7-10(14)11(15)9-12(16)17/h10-11,14-15H,8-9H2,1-5H3,(H,16,17)
InChIKeyFRGQHPZBAMPCHJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.21
Rot. Bonds5

About 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid

7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid (PubChem CID 101495893) has the molecular formula C13H24O5Si and a molecular weight of 288.42 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid
PubChem CID101495893
Molecular FormulaC13H24O5Si
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid
SMILESCC(C)(C)[Si](C)(C)OCC#CC(O)C(O)CC(=O)O
InChIInChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-8-6-7-10(14)11(15)9-12(16)17/h10-11,14-15H,8-9H2,1-5H3,(H,16,17)
InChIKeyFRGQHPZBAMPCHJ-UHFFFAOYSA-N
XLogP1.21
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584147
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24823711
(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
CID 11346442
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584148
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 75104437
methyl (2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-5-trimethylsilylpent-4-ynoate
CID 11199155
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate
CID 11821429
5-[Tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoic acid
CID 21992711
4-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoic acid
CID 22481101
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxypentanoic acid
CID 22869810
3(R)-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-butyric acid ethyl ester
CID 58598254
3-(tert-Butyl-dimethyl-silanyloxy)-4-hydroxy-butyric acid ethyl ester
CID 73116895

Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid (CID 101495893) is 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid is CC(C)(C)[Si](C)(C)OCC#CC(O)C(O)CC(=O)O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid?
The InChIKey is FRGQHPZBAMPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-13(2,3)19(4,5)18-8-6-7-10(14)11(15)9-12(16)17/h10-11,14-15H,8-9H2,1-5H3,(H,16,17).
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid?
7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid has a molecular weight of 288.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhept-5-ynoic acid is sourced from PubChem (CID 101495893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).