(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol

C22H44O2Si — CID 134846117

IUPAC(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol
SMILESCC#C[C@@H](CCCCCCCCCC[C@H](C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si/c1-8-17-21(24-25(6,7)22(3,4)5)19-16-14-12-10-9-11-13-15-18-20(2)23/h20-21,23H,9-16,18-19H2,1-7H3/t20-,21-/m0/s1
InChIKeyRQLGOZUETFEYMC-SFTDATJTSA-N
MW368.68 g/mol
LogP6.68
Rot. Bonds13

About (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol

(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol (PubChem CID 134846117) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol.

Molecular Properties

Compound Name(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol
PubChem CID134846117
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Name(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol
SMILESCC#C[C@@H](CCCCCCCCCC[C@H](C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44O2Si/c1-8-17-21(24-25(6,7)22(3,4)5)19-16-14-12-10-9-11-13-15-18-20(2)23/h20-21,23H,9-16,18-19H2,1-7H3/t20-,21-/m0/s1
InChIKeyRQLGOZUETFEYMC-SFTDATJTSA-N
XLogP6.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 56.68
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
CID 164610642
1-Octanol, 8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11043515
10-((tert-Butyldimethylsilyl)oxy)decan-1-ol
CID 11044434
9-((tert-Butyldimethylsilyl)oxy)nonan-1-ol
CID 14521701
3-Fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol
CID 10806206
tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
1-Tri(propan-2-yl)silyldodec-1-yn-4-ol
CID 12120914
1-Decyn-3-ol, 1-(trimethylsilyl)-
CID 10955284
1-Trimethylsilylnon-1-yn-3-ol
CID 15695620
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonan-1-ol
CID 54576111
16-[Tert-butyl(dimethyl)silyl]oxyhexadecan-1-ol
CID 71762408
4-[Tert-butyl(dimethyl)silyl]oxynon-2-yn-1-ol
CID 85825729

Frequently Asked Questions

What is the IUPAC name of (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol?
The IUPAC name of (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol (CID 134846117) is (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol.
What is the SMILES notation for (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol?
The canonical SMILES for (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol is CC#C[C@@H](CCCCCCCCCC[C@H](C)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol?
The InChIKey is RQLGOZUETFEYMC-SFTDATJTSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-8-17-21(24-25(6,7)22(3,4)5)19-16-14-12-10-9-11-13-15-18-20(2)23/h20-21,23H,9-16,18-19H2,1-7H3/t20-,21-/m0/s1.
What are the key properties of (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol?
(2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol has a molecular weight of 368.68 g/mol, XLogP of 6.68, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,13R)-13-[tert-butyl(dimethyl)silyl]oxyhexadec-14-yn-2-ol is sourced from PubChem (CID 134846117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).