tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate

C18H38O4Si — CID 134996680

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
SMILESCCCCCC(O)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-10-11-12-13-14(19)15(16(20)21-17(2,3)4)22-23(8,9)18(5,6)7/h14-15,19H,10-13H2,1-9H3
InChIKeyIEIHEMJMPVSBTN-UHFFFAOYSA-N
MW346.58 g/mol
LogP4.66
Rot. Bonds8

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate (PubChem CID 134996680) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
PubChem CID134996680
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
SMILESCCCCCC(O)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-10-11-12-13-14(19)15(16(20)21-17(2,3)4)22-23(8,9)18(5,6)7/h14-15,19H,10-13H2,1-9H3
InChIKeyIEIHEMJMPVSBTN-UHFFFAOYSA-N
XLogP4.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,3R)-2,3-dihydroxyoctadecanoate
CID 10882494
Glyceryl-monomyristate
CID 21115609
Glyceryl hydroxy stearate
CID 21117739
(3-Hydroxydecanoyloxy) decanoic acid
CID 23047103
Glyceryl-monopalmitate
CID 23617476
2,3-Dihydroxypropanoyl octadecanoate
CID 23618872
Methyl 2,3-dihydroxyhexadecanoate
CID 86053076
beta-Hydroxydecanoyl-beta-hydroxydecanoate
CID 129829007
(3-Hydroxy-2-trimethylsilyloxypropyl) hexadecanoate
CID 168180153
Ethyl (2R,3S)-2-Hydroxy-3-(triisopropylsiloxy)decanoate
CID 11825278
methyl (2S,3R)-2,3-dihydroxyoctadecanoate
CID 14264411
diethyl (2S,3S,4S,5S,6S,7S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,3,6,7-tetrahydroxyoctanedioate
CID 14737948

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate (CID 134996680) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate is CCCCCC(O)C(O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate?
The InChIKey is IEIHEMJMPVSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-10-11-12-13-14(19)15(16(20)21-17(2,3)4)22-23(8,9)18(5,6)7/h14-15,19H,10-13H2,1-9H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate has a molecular weight of 346.58 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate is sourced from PubChem (CID 134996680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).