(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

C16H29NO2SSi — CID 6167478

IUPAC(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESC/C(=C\c1csc(C)n1)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO2SSi/c1-12(10-14-11-20-13(2)17-14)15(8-9-18)19-21(6,7)16(3,4)5/h10-11,15,18H,8-9H2,1-7H3/b12-10+
InChIKeyWQQIQHITWPPXOO-ZRDIBKRKSA-N
MW327.57 g/mol
LogP4.63
Rot. Bonds6

About (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol

(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (PubChem CID 6167478) has the molecular formula C16H29NO2SSi and a molecular weight of 327.57 g/mol. Its IUPAC name is (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
PubChem CID6167478
Molecular FormulaC16H29NO2SSi
Molecular Weight327.57 g/mol
Exact Mass327.17
IUPAC Name(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
SMILESC/C(=C\c1csc(C)n1)C(CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO2SSi/c1-12(10-14-11-20-13(2)17-14)15(8-9-18)19-21(6,7)16(3,4)5/h10-11,15,18H,8-9H2,1-7H3/b12-10+
InChIKeyWQQIQHITWPPXOO-ZRDIBKRKSA-N
XLogP4.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol (CID 6167478) is (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol.
What is the SMILES notation for (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The canonical SMILES for (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is C/C(=C\c1csc(C)n1)C(CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
The InChIKey is WQQIQHITWPPXOO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H29NO2SSi/c1-12(10-14-11-20-13(2)17-14)15(8-9-18)19-21(6,7)16(3,4)5/h10-11,15,18H,8-9H2,1-7H3/b12-10+.
What are the key properties of (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol?
(E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol has a molecular weight of 327.57 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol is sourced from PubChem (CID 6167478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).