(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol

C17H32O2Si — CID 11500338

IUPAC(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol
SMILESC#C[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-10-14(3)16(18)15(4)11-13(2)12-19-20(8,9)17(5,6)7/h1,11,13-14,16,18H,12H2,2-9H3/b15-11+/t13-,14-,16-/m1/s1
InChIKeyVEAYMOWEDIZLDR-HSEIEFQJSA-N
MW296.53 g/mol
LogP4.22
Rot. Bonds6

About (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol

(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol (PubChem CID 11500338) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol
PubChem CID11500338
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol
SMILESC#C[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-10-14(3)16(18)15(4)11-13(2)12-19-20(8,9)17(5,6)7/h1,11,13-14,16,18H,12H2,2-9H3/b15-11+/t13-,14-,16-/m1/s1
InChIKeyVEAYMOWEDIZLDR-HSEIEFQJSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol?
The IUPAC name of (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol (CID 11500338) is (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol.
What is the SMILES notation for (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol?
The canonical SMILES for (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol is C#C[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol?
The InChIKey is VEAYMOWEDIZLDR-HSEIEFQJSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-10-14(3)16(18)15(4)11-13(2)12-19-20(8,9)17(5,6)7/h1,11,13-14,16,18H,12H2,2-9H3/b15-11+/t13-,14-,16-/m1/s1.
What are the key properties of (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol?
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol has a molecular weight of 296.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyloct-5-en-1-yn-4-ol is sourced from PubChem (CID 11500338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).