(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol

C14H26O2Si — CID 11107906

IUPAC(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol
SMILESC#CC[C@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h1,8-9,13,15H,10-12H2,2-6H3/b9-8+/t13-/m1/s1
InChIKeyBNFAELFCAIQVNU-MMQHEFTJSA-N
MW254.45 g/mol
LogP3.34
Rot. Bonds6

About (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol

(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol (PubChem CID 11107906) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol.

Molecular Properties

Compound Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol
PubChem CID11107906
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol
SMILESC#CC[C@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h1,8-9,13,15H,10-12H2,2-6H3/b9-8+/t13-/m1/s1
InChIKeyBNFAELFCAIQVNU-MMQHEFTJSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.34
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,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol?
The IUPAC name of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol (CID 11107906) is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol.
What is the SMILES notation for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol?
The canonical SMILES for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol is C#CC[C@H](C/C=C/CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol?
The InChIKey is BNFAELFCAIQVNU-MMQHEFTJSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-10-13(11-8-9-12-15)16-17(5,6)14(2,3)4/h1,8-9,13,15H,10-12H2,2-6H3/b9-8+/t13-/m1/s1.
What are the key properties of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol?
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol has a molecular weight of 254.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-en-7-yn-1-ol is sourced from PubChem (CID 11107906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).