(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol

C22H42O3Si — CID 11111747

IUPAC(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
SMILESCCOC#CC(CCCCCC/C=C\CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si/c1-7-24-20-18-21(25-26(5,6)22(2,3)4)17-15-13-11-9-8-10-12-14-16-19-23/h10,12,21,23H,7-9,11,13-17,19H2,1-6H3/b12-10-
InChIKeyFFNCTVDSDAZSOM-BENRWUELSA-N
MW382.66 g/mol
LogP6.04
Rot. Bonds13

About (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol

(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol (PubChem CID 11111747) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol.

Molecular Properties

Compound Name(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
PubChem CID11111747
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Name(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
SMILESCCOC#CC(CCCCCC/C=C\CCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si/c1-7-24-20-18-21(25-26(5,6)22(2,3)4)17-15-13-11-9-8-10-12-14-16-19-23/h10,12,21,23H,7-9,11,13-17,19H2,1-6H3/b12-10-
InChIKeyFFNCTVDSDAZSOM-BENRWUELSA-N
XLogP6.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z,6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 23425024
(Z,6R)-pentacos-16-en-2,4-diyne-1,6-diol
CID 10547449
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
(6E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyldodeca-1,6-dien-11-yn-3-ol
CID 11359645
(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
CID 12964922
(15z,19z)-1-(Trimethylsilyl)hexatriaconta-15,19-dien-1-yn-3-ol
CID 129747160
(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one
CID 134873855
(1Z,10Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,10-dien-4-ol
CID 134878942
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol
CID 134974571
6-[Tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol
CID 139252747
(7z,11z)-1,18-Bis(trimethylsilyl)octadeca-7,11-diene1,17-diyne-3,16-diol
CID 168011472
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-2-en-1-ol
CID 101549315

Frequently Asked Questions

What is the IUPAC name of (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol?
The IUPAC name of (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol (CID 11111747) is (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol.
What is the SMILES notation for (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol?
The canonical SMILES for (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol is CCOC#CC(CCCCCC/C=C\CCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol?
The InChIKey is FFNCTVDSDAZSOM-BENRWUELSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-7-24-20-18-21(25-26(5,6)22(2,3)4)17-15-13-11-9-8-10-12-14-16-19-23/h10,12,21,23H,7-9,11,13-17,19H2,1-6H3/b12-10-.
What are the key properties of (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol?
(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol has a molecular weight of 382.66 g/mol, XLogP of 6.04, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol is sourced from PubChem (CID 11111747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).