(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C35H28O4Si — CID 140682105

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[C@H]1OC(C)(C)O[C@H]1[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H28O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33(38-35(5,6)37-31)32(30-36)39-40(7,8)34(2,3)4/h1,31-33,36H,30H2,2-8H3/t31-,32+,33-/m1/s1
InChIKeyOBJPAMWYGRFDAZ-XKKJXBDVSA-N
MW540.69 g/mol
LogP2.56
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 140682105) has the molecular formula C35H28O4Si and a molecular weight of 540.69 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID140682105
Molecular FormulaC35H28O4Si
Molecular Weight540.69 g/mol
Exact Mass540.18
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[C@H]1OC(C)(C)O[C@H]1[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H28O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33(38-35(5,6)37-31)32(30-36)39-40(7,8)34(2,3)4/h1,31-33,36H,30H2,2-8H3/t31-,32+,33-/m1/s1
InChIKeyOBJPAMWYGRFDAZ-XKKJXBDVSA-N
XLogP2.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 140682105) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[C@H]1OC(C)(C)O[C@H]1[C@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is OBJPAMWYGRFDAZ-XKKJXBDVSA-N. The full InChI is InChI=1S/C35H28O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33(38-35(5,6)37-31)32(30-36)39-40(7,8)34(2,3)4/h1,31-33,36H,30H2,2-8H3/t31-,32+,33-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 540.69 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 140682105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).