(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid

C24H32O3Si — CID 23117699

IUPAC(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid
SMILESCC(/C=C/CCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-20(14-8-5-13-19-23(25)26)27-28(24(2,3)4,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6-12,14-18,20H,5,13,19H2,1-4H3,(H,25,26)/b14-8+
InChIKeyAQUZXKNQWNCLQU-RIYZIHGNSA-N
MW396.60 g/mol
LogP4.76
Rot. Bonds9

About (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid

(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid (PubChem CID 23117699) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid.

Molecular Properties

Compound Name(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid
PubChem CID23117699
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid
SMILESCC(/C=C/CCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O3Si/c1-20(14-8-5-13-19-23(25)26)27-28(24(2,3)4,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6-12,14-18,20H,5,13,19H2,1-4H3,(H,25,26)/b14-8+
InChIKeyAQUZXKNQWNCLQU-RIYZIHGNSA-N
XLogP4.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z,6S)-6-[tert-butyl(diphenyl)silyl]oxyhept-4-enyl]hydroxylamine
CID 100983675
[(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl] acetate
CID 58918269
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
[(E,2S)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-yl] hex-5-enoate
CID 102211153
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
N-[(E,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 140525745
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
disodium;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienal;(5Z,14Z)-18-[tert-butyl(diphenyl)silyl]oxyicosa-5,14-dienoic acid;dioxophosphanium;hydride;chlorite
CID 160707088
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695

Frequently Asked Questions

What is the IUPAC name of (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid?
The IUPAC name of (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid (CID 23117699) is (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid.
What is the SMILES notation for (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid?
The canonical SMILES for (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid is CC(/C=C/CCCC(=O)O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid?
The InChIKey is AQUZXKNQWNCLQU-RIYZIHGNSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-20(14-8-5-13-19-23(25)26)27-28(24(2,3)4,21-15-9-6-10-16-21)22-17-11-7-12-18-22/h6-12,14-18,20H,5,13,19H2,1-4H3,(H,25,26)/b14-8+.
What are the key properties of (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid?
(E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid has a molecular weight of 396.60 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[tert-butyl(diphenyl)silyl]oxyoct-5-enoic acid is sourced from PubChem (CID 23117699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).