(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol

C28H56O2SiSn — CID 177476259

IUPAC(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol
SMILESCCCCC#C[C@@H](O)[C@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29O2Si.3C4H9.Sn/c1-8-10-11-12-13-14(17)15(9-2)18-19(6,7)16(3,4)5;3*1-3-4-2;/h2,9,14-15,17H,8,10-11H2,1,3-7H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m1..../s1
InChIKeyWZFDFIZJFSNJHW-ADTSQVCLSA-N
MW571.55 g/mol
LogP8.88
Rot. Bonds16

About (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol

(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol (PubChem CID 177476259) has the molecular formula C28H56O2SiSn and a molecular weight of 571.55 g/mol. Its IUPAC name is (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol.

Molecular Properties

Compound Name(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol
PubChem CID177476259
Molecular FormulaC28H56O2SiSn
Molecular Weight571.55 g/mol
Exact Mass572.31
IUPAC Name(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol
SMILESCCCCC#C[C@@H](O)[C@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29O2Si.3C4H9.Sn/c1-8-10-11-12-13-14(17)15(9-2)18-19(6,7)16(3,4)5;3*1-3-4-2;/h2,9,14-15,17H,8,10-11H2,1,3-7H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m1..../s1
InChIKeyWZFDFIZJFSNJHW-ADTSQVCLSA-N
XLogP8.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.55
LogP ≤ 58.88
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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Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol?
The IUPAC name of (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol (CID 177476259) is (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol.
What is the SMILES notation for (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol?
The canonical SMILES for (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol is CCCCC#C[C@@H](O)[C@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol?
The InChIKey is WZFDFIZJFSNJHW-ADTSQVCLSA-N. The full InChI is InChI=1S/C16H29O2Si.3C4H9.Sn/c1-8-10-11-12-13-14(17)15(9-2)18-19(6,7)16(3,4)5;3*1-3-4-2;/h2,9,14-15,17H,8,10-11H2,1,3-7H3;3*1,3-4H2,2H3;/t14-,15+;;;;/m1..../s1.
What are the key properties of (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol?
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol has a molecular weight of 571.55 g/mol, XLogP of 8.88, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannyldec-1-en-5-yn-4-ol is sourced from PubChem (CID 177476259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).