(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol

C14H26O2Si — CID 146162327

IUPAC(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol
SMILESC#C/C=C/[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-10-13(15)11-9-12-16-17(5,6)14(2,3)4/h1,8,10,13,15H,9,11-12H2,2-6H3/b10-8+/t13-/m1/s1
InChIKeyGLLUIDDXXQSMPY-AORWBKJGSA-N
MW254.45 g/mol
LogP3.34
Rot. Bonds6

About (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol

(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol (PubChem CID 146162327) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol.

Molecular Properties

Compound Name(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol
PubChem CID146162327
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol
SMILESC#C/C=C/[C@@H](O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O2Si/c1-7-8-10-13(15)11-9-12-16-17(5,6)14(2,3)4/h1,8,10,13,15H,9,11-12H2,2-6H3/b10-8+/t13-/m1/s1
InChIKeyGLLUIDDXXQSMPY-AORWBKJGSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol with MolForge

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 71534218
6-[(Tert-butyldimethylsilyl)oxy]hex-1-en-3-ol
CID 10823381
(1r, 3r)-1-(Tert-butyl-dimethylsiloxy)-3-hydroxy-4-cyclopentene
CID 10878531
(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-en-1-ol
CID 10421944
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(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
(E)-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-7-yn-4-ol
CID 101012128

Frequently Asked Questions

What is the IUPAC name of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol?
The IUPAC name of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol (CID 146162327) is (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol.
What is the SMILES notation for (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol?
The canonical SMILES for (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol is C#C/C=C/[C@@H](O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol?
The InChIKey is GLLUIDDXXQSMPY-AORWBKJGSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-7-8-10-13(15)11-9-12-16-17(5,6)14(2,3)4/h1,8,10,13,15H,9,11-12H2,2-6H3/b10-8+/t13-/m1/s1.
What are the key properties of (E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol?
(E,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-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,4S)-1-[tert-butyl(dimethyl)silyl]oxyoct-5-en-7-yn-4-ol is sourced from PubChem (CID 146162327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).