(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol

C36H58O2Si — CID 153316540

IUPAC(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol
SMILESCCC(CC/C=C\CCCCCCCCCCCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H58O2Si/c1-5-33(27-21-17-15-13-11-9-7-6-8-10-12-14-16-18-26-32-37)38-39(36(2,3)4,34-28-22-19-23-29-34)35-30-24-20-25-31-35/h15,17,19-20,22-25,28-31,33,37H,5-14,16,18,21,26-27,32H2,1-4H3/b17-15-
InChIKeyPVKLJGONFXBGER-ICFOKQHNSA-N
MW550.94 g/mol
LogP9.35
Rot. Bonds21

About (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol

(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol (PubChem CID 153316540) has the molecular formula C36H58O2Si and a molecular weight of 550.94 g/mol. Its IUPAC name is (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol.

Molecular Properties

Compound Name(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol
PubChem CID153316540
Molecular FormulaC36H58O2Si
Molecular Weight550.94 g/mol
Exact Mass550.42
IUPAC Name(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol
SMILESCCC(CC/C=C\CCCCCCCCCCCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H58O2Si/c1-5-33(27-21-17-15-13-11-9-7-6-8-10-12-14-16-18-26-32-37)38-39(36(2,3)4,34-28-22-19-23-29-34)35-30-24-20-25-31-35/h15,17,19-20,22-25,28-31,33,37H,5-14,16,18,21,26-27,32H2,1-4H3/b17-15-
InChIKeyPVKLJGONFXBGER-ICFOKQHNSA-N
XLogP9.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.94
LogP ≤ 59.35
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

(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
16-[tert-butyl(diphenyl)silyl]oxyheptadec-4-yn-1-ol;(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol;methane;molecular hydrogen
CID 158614874
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
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
(2S)-4-[(2R,5E,8R,11E,15E,19E)-2-[tert-butyl(diphenyl)silyl]oxy-8-hydroxydotriaconta-5,11,15,19-tetraenyl]-2-methyl-2H-furan-5-one
CID 11040097
(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
CID 153316530
[(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate
CID 164754063
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858

Frequently Asked Questions

What is the IUPAC name of (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol?
The IUPAC name of (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol (CID 153316540) is (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol.
What is the SMILES notation for (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol?
The canonical SMILES for (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol is CCC(CC/C=C\CCCCCCCCCCCCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol?
The InChIKey is PVKLJGONFXBGER-ICFOKQHNSA-N. The full InChI is InChI=1S/C36H58O2Si/c1-5-33(27-21-17-15-13-11-9-7-6-8-10-12-14-16-18-26-32-37)38-39(36(2,3)4,34-28-22-19-23-29-34)35-30-24-20-25-31-35/h15,17,19-20,22-25,28-31,33,37H,5-14,16,18,21,26-27,32H2,1-4H3/b17-15-.
What are the key properties of (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol?
(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol has a molecular weight of 550.94 g/mol, XLogP of 9.35, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol is sourced from PubChem (CID 153316540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).