(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol

C17H36O2Si — CID 134965208

IUPAC(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol
SMILESC/C(=C\C(C)(C)C)[C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(11-16(3,4)5)15(18)14(2)12-19-20(9,10)17(6,7)8/h11,14-15,18H,12H2,1-10H3/b13-11+/t14-,15+/m1/s1
InChIKeyYYLYDGSDMRROFJ-URQVRESPSA-N
MW300.56 g/mol
LogP5.00
Rot. Bonds5

About (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol

(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol (PubChem CID 134965208) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol.

Molecular Properties

Compound Name(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol
PubChem CID134965208
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol
SMILESC/C(=C\C(C)(C)C)[C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(11-16(3,4)5)15(18)14(2)12-19-20(9,10)17(6,7)8/h11,14-15,18H,12H2,1-10H3/b13-11+/t14-,15+/m1/s1
InChIKeyYYLYDGSDMRROFJ-URQVRESPSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol?
The IUPAC name of (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol (CID 134965208) is (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol.
What is the SMILES notation for (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol?
The canonical SMILES for (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol is C/C(=C\C(C)(C)C)[C@H](O)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol?
The InChIKey is YYLYDGSDMRROFJ-URQVRESPSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(11-16(3,4)5)15(18)14(2)12-19-20(9,10)17(6,7)8/h11,14-15,18H,12H2,1-10H3/b13-11+/t14-,15+/m1/s1.
What are the key properties of (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol?
(E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol has a molecular weight of 300.56 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4,6,6-tetramethylhept-4-en-3-ol is sourced from PubChem (CID 134965208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).