(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)OC1=CC=CC=C1/C=C/C(CCCCC(=O)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
MW364.50 g/mol
LogP—
Rot. Bonds10

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 364.50 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 Weight364.50 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)OC1=CC=CC=C1/C=C/C(CCCCC(=O)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
XLogP—
TPSA66.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity439

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
H-Bond Donors ≤ 52
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

Benzenemethanol, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10966587
Ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
Methyl (2-trimethylsilyloxyphenyl)acetate
CID 24754724
Ethyl 6-(3,5-difluoro-4-triisopropylsilanyloxybenzyl)-7-hydroxyheptanoate
CID 57971930
2-[2-[1-Fluorobutyl(dimethyl)silyl]oxyphenyl]acetic acid
CID 67911846
3-[2-Fluoro-5-tri(propan-2-yl)silyloxyphenyl]propanoic acid
CID 177759638
Hydrocinnamic acid, p,alpha-bis(trimethylsiloxy)-, trimethylsilyl ester
CID 520339
4-Hydroxymandelic acid, tris(O-t-butyldimethylsilyl)-
CID 528593
m-Trimethylsilyloxyphenyl(trimethylsilyloxy)trimethylsilylacrylate
CID 528645
2-Hydroxybenzeneacetic acid, 2TBDMS derivative
CID 553573
4-Hydroxyphenylacetic acid di(t-butyldimethylsilyl)
CID 553843
4-Hydroxyphenyllactate, TBDMS
CID 553988

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)OC1=CC=CC=C1/C=C/C(CCCCC(=O)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 364.50 g/mol, XLogP of not available, 10 rotatable bonds, 2 hydrogen bond donors, and 4 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).