(E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid

C20H32O4Si — CID 68706971

IUPAC(E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1/C=C/C(O)CCCCC(=O)O
InChIInChI=1S/C20H32O4Si/c1-20(2,3)25(4,5)24-18-12-8-6-10-16(18)14-15-17(21)11-7-9-13-19(22)23/h6,8,10,12,14-15,17,21H,7,9,11,13H2,1-5H3,(H,22,23)/b15-14+
InChIKeyJJCNJCIHBIHRFM-CCEZHUSRSA-N
MW364.56 g/mol
LogP5.09
Rot. Bonds9

About (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid

(E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid (PubChem CID 68706971) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid.

Molecular Properties

Compound Name(E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid
PubChem CID68706971
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Name(E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1/C=C/C(O)CCCCC(=O)O
InChIInChI=1S/C20H32O4Si/c1-20(2,3)25(4,5)24-18-12-8-6-10-16(18)14-15-17(21)11-7-9-13-19(22)23/h6,8,10,12,14-15,17,21H,7,9,11,13H2,1-5H3,(H,22,23)/b15-14+
InChIKeyJJCNJCIHBIHRFM-CCEZHUSRSA-N
XLogP5.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol
CID 10925869
methyl 8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-oxooct-7-enoate
CID 68710702
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
methyl (E)-6-hydroxy-8-[2-(5-phenylpentoxy)phenyl]oct-7-enoate
CID 23118876
5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid
CID 54544645
4-[2-[(E)-2-(2-butoxyphenyl)ethenyl]-6-carboxyhexyl]benzoic acid
CID 59210618
4-[2-[(E)-2-[2-(5-bromopentoxy)phenyl]ethenyl]-6-carboxyhexyl]benzoic acid
CID 59210706
4-[6-carboxy-2-[(E)-2-[2-[5-(dimethylamino)pentoxy]phenyl]ethenyl]hexyl]benzoic acid
CID 59210586
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid
CID 67215564
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
4-[6-carboxy-2-[(E)-2-[2-[5-(2,6-dimethylmorpholin-4-yl)pentoxy]phenyl]ethenyl]hexyl]benzoic acid
CID 59210725

Frequently Asked Questions

What is the IUPAC name of (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid?
The IUPAC name of (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid (CID 68706971) is (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid.
What is the SMILES notation for (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid?
The canonical SMILES for (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid is CC(C)(C)[Si](C)(C)Oc1ccccc1/C=C/C(O)CCCCC(=O)O.
What is the InChIKey of (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid?
The InChIKey is JJCNJCIHBIHRFM-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-20(2,3)25(4,5)24-18-12-8-6-10-16(18)14-15-17(21)11-7-9-13-19(22)23/h6,8,10,12,14-15,17,21H,7,9,11,13H2,1-5H3,(H,22,23)/b15-14+.
What are the key properties of (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid?
(E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid has a molecular weight of 364.56 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid is sourced from PubChem (CID 68706971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).