(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol

C13H26OSi — CID 15399341

IUPAC(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCC[C@@H](O)[C@@H](C#C[Si](C)(C)C)CC
InChIInChI=1S/C13H26OSi/c1-6-8-9-13(14)12(7-2)10-11-15(3,4)5/h12-14H,6-9H2,1-5H3/t12-,13-/m1/s1
InChIKeyYKNGSQCHDNYVIR-CHWSQXEVSA-N
MW226.44 g/mol
LogP3.44
Rot. Bonds5

About (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol

(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol (PubChem CID 15399341) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol
PubChem CID15399341
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol
SMILESCCCC[C@@H](O)[C@@H](C#C[Si](C)(C)C)CC
InChIInChI=1S/C13H26OSi/c1-6-8-9-13(14)12(7-2)10-11-15(3,4)5/h12-14H,6-9H2,1-5H3/t12-,13-/m1/s1
InChIKeyYKNGSQCHDNYVIR-CHWSQXEVSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
2-ethyl-3-hydroxyheptanenitrile
CID 79131820
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
(3S,4S)-octane-3,4-diol
CID 132990515
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
6,7-diethyldodecane-5,8-diol
CID 166728697
(3R,4S)-3-(phenylsulfanylmethyl)-1-trimethylsilylhept-1-yn-4-ol
CID 101124004
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
1-trimethylsilylnona-1,7-diyn-3-ol
CID 121009157
(4S)-3,3-dimethyl-1-trimethylsilyloct-1-yn-4-ol
CID 129405345
hept-1-yne-1,3-diol
CID 18401946

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol?
The IUPAC name of (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol (CID 15399341) is (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol.
What is the SMILES notation for (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol?
The canonical SMILES for (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol is CCCC[C@@H](O)[C@@H](C#C[Si](C)(C)C)CC.
What is the InChIKey of (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol?
The InChIKey is YKNGSQCHDNYVIR-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26OSi/c1-6-8-9-13(14)12(7-2)10-11-15(3,4)5/h12-14H,6-9H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol?
(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol has a molecular weight of 226.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol is sourced from PubChem (CID 15399341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).