(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol

C15H28O2Si — CID 146162519

IUPAC(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
SMILESC#C/C=C/[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-11-14(16)12-9-10-13-17-18(5,6)15(2,3)4/h1,8,11,14,16H,9-10,12-13H2,2-6H3/b11-8+/t14-/m1/s1
InChIKeyUOVXWVIYHKZNNU-BMGYJQCNSA-N
MW268.47 g/mol
LogP3.73
Rot. Bonds7

About (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol

(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol (PubChem CID 146162519) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol.

Molecular Properties

Compound Name(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
PubChem CID146162519
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
SMILESC#C/C=C/[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-7-8-11-14(16)12-9-10-13-17-18(5,6)15(2,3)4/h1,8,11,14,16H,9-10,12-13H2,2-6H3/b11-8+/t14-/m1/s1
InChIKeyUOVXWVIYHKZNNU-BMGYJQCNSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.73
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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Related Compounds

(E,5R)-tetradec-6-en-8,10,12-triyne-1,5-diol
CID 162890630
(1S,4R)-6-[tert-butyl(dimethyl)silyl]oxycyclohept-2-ene-1,4-diol
CID 11021568
(E)-1-trimethylsilyldec-3-en-1-yn-5-ol
CID 15176337
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 15263360
(3S)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-ol
CID 17755256
7-((tert-Butyldimethylsilyl)oxy)hept-1-en-3-ol
CID 46850137
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176
(E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-en-4-ol
CID 135037292
(1S,4S)-4-triethylsilyloxycyclohept-2-en-1-ol
CID 135042426
(Z,5R)-1-trimethylsilyldec-3-en-1-yn-5-ol
CID 146161389
(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyhept-4-en-6-yn-1-ol
CID 146161390
(Z,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol
CID 146161559

Frequently Asked Questions

What is the IUPAC name of (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol?
The IUPAC name of (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol (CID 146162519) is (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol.
What is the SMILES notation for (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol?
The canonical SMILES for (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol is C#C/C=C/[C@@H](O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol?
The InChIKey is UOVXWVIYHKZNNU-BMGYJQCNSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-7-8-11-14(16)12-9-10-13-17-18(5,6)15(2,3)4/h1,8,11,14,16H,9-10,12-13H2,2-6H3/b11-8+/t14-/m1/s1.
What are the key properties of (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol?
(E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol has a molecular weight of 268.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-9-[tert-butyl(dimethyl)silyl]oxynon-3-en-1-yn-5-ol is sourced from PubChem (CID 146162519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).