(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol

C21H35IO2Si — CID 134887156

IUPAC(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol
SMILESCCCCC#CCC/C(I)=C/C(CC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H35IO2Si/c1-7-8-9-10-11-12-15-19(22)18-20(16-13-14-17-23)24-25(5,6)21(2,3)4/h18,20,23H,7-9,12,15-17H2,1-6H3/b19-18-
InChIKeyVMUGLPICQLBMGW-HNENSFHCSA-N
MW474.50 g/mol
LogP6.06
Rot. Bonds8

About (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol

(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol (PubChem CID 134887156) has the molecular formula C21H35IO2Si and a molecular weight of 474.50 g/mol. Its IUPAC name is (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol.

Molecular Properties

Compound Name(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol
PubChem CID134887156
Molecular FormulaC21H35IO2Si
Molecular Weight474.50 g/mol
Exact Mass474.15
IUPAC Name(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol
SMILESCCCCC#CCC/C(I)=C/C(CC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H35IO2Si/c1-7-8-9-10-11-12-15-19(22)18-20(16-13-14-17-23)24-25(5,6)21(2,3)4/h18,20,23H,7-9,12,15-17H2,1-6H3/b19-18-
InChIKeyVMUGLPICQLBMGW-HNENSFHCSA-N
XLogP6.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.50
LogP ≤ 56.06
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodooct-6-en-3-yn-1-ol
CID 134898090
[(3S,4E,8E,12E)-13-iodo-5,9,12-trimethyltrideca-4,8,12-trien-1-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 134940739
(3R,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxytrideca-1,9-dien-4,6-diyn-3-ol
CID 134974570
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxypentadec-7-en-2,4-diyn-1-ol
CID 134974571
(2E,8S,9Z)-8-[tert-butyl(dimethyl)silyl]oxyheptadeca-2,9-dien-4,6-diyn-1-ol
CID 134974572
(Z)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]tetradec-7-en-2,4,9,11-tetrayn-6-ol
CID 135074622
(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol
CID 146162787
(4E,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-4,8,11-trien-2-yn-1-ol
CID 156679609
(E,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol
CID 10040248
(E,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxyundec-2-en-6-yn-5-ol
CID 10063181

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol?
The IUPAC name of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol (CID 134887156) is (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol.
What is the SMILES notation for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol?
The canonical SMILES for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol is CCCCC#CCC/C(I)=C/C(CC#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol?
The InChIKey is VMUGLPICQLBMGW-HNENSFHCSA-N. The full InChI is InChI=1S/C21H35IO2Si/c1-7-8-9-10-11-12-15-19(22)18-20(16-13-14-17-23)24-25(5,6)21(2,3)4/h18,20,23H,7-9,12,15-17H2,1-6H3/b19-18-.
What are the key properties of (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol?
(Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol has a molecular weight of 474.50 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[tert-butyl(dimethyl)silyl]oxy-7-iodopentadec-6-en-2,10-diyn-1-ol is sourced from PubChem (CID 134887156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).