1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol

C27H38O2Si — CID 86716473

IUPAC1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
SMILESCCCCCC#CCCCC(O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O2Si/c1-5-6-7-8-9-10-11-18-23-26(28)29-30(27(2,3)4,24-19-14-12-15-20-24)25-21-16-13-17-22-25/h12-17,19-22,26,28H,5-8,11,18,23H2,1-4H3
InChIKeyAJSPWQTXKNPOSN-UHFFFAOYSA-N
MW422.69 g/mol
LogP5.64
Rot. Bonds10

About 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol

1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol (PubChem CID 86716473) has the molecular formula C27H38O2Si and a molecular weight of 422.69 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
PubChem CID86716473
Molecular FormulaC27H38O2Si
Molecular Weight422.69 g/mol
Exact Mass422.26
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
SMILESCCCCCC#CCCCC(O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H38O2Si/c1-5-6-7-8-9-10-11-18-23-26(28)29-30(27(2,3)4,24-19-14-12-15-20-24)25-21-16-13-17-22-25/h12-17,19-22,26,28H,5-8,11,18,23H2,1-4H3
InChIKeyAJSPWQTXKNPOSN-UHFFFAOYSA-N
XLogP5.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.69
LogP ≤ 55.64
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
CID 153316530
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
CID 135030913
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
CID 10985443
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol (CID 86716473) is 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol is CCCCCC#CCCCC(O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol?
The InChIKey is AJSPWQTXKNPOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O2Si/c1-5-6-7-8-9-10-11-18-23-26(28)29-30(27(2,3)4,24-19-14-12-15-20-24)25-21-16-13-17-22-25/h12-17,19-22,26,28H,5-8,11,18,23H2,1-4H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol?
1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol has a molecular weight of 422.69 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol is sourced from PubChem (CID 86716473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).