(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol

C14H28O2Si — CID 135039763

IUPAC(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol
SMILESCCC(CC)[C@H](O)C#CC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12(9-2)13(15)10-11-14(3,4)16-17(5,6)7/h12-13,15H,8-9H2,1-7H3/t13-/m1/s1
InChIKeyNTKQIFWOLQSXTJ-CYBMUJFWSA-N
MW256.46 g/mol
LogP3.42
Rot. Bonds5

About (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol

(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol (PubChem CID 135039763) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol.

Molecular Properties

Compound Name(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol
PubChem CID135039763
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol
SMILESCCC(CC)[C@H](O)C#CC(C)(C)O[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12(9-2)13(15)10-11-14(3,4)16-17(5,6)7/h12-13,15H,8-9H2,1-7H3/t13-/m1/s1
InChIKeyNTKQIFWOLQSXTJ-CYBMUJFWSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol with MolForge

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Launch Full Analysis

Related Compounds

9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
(3R)-2,6-dimethyl-6-trimethylsilyloxyhept-4-yn-3-ol
CID 102018812
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
CID 135079167
1-Butanol, 2-ethyl-3-[(triethylsilyl)oxy]-, [r-(R*,S*)]-
CID 568625
3-Hydroxymethyl-2-trimethylsilyloxypentane
CID 575923
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-yn-1-ol
CID 11436454
5-Methyl-1-trimethylsilylhex-1-yn-3-ol
CID 12748620
4-[Tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-yn-1-ol
CID 85825699
4-[Tert-butyl(dimethyl)silyl]oxy-5-methyloct-2-yn-1-ol
CID 85825709
4-[Tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-yn-1-ol
CID 85825733
4-[Tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-yn-1-ol
CID 87193799
(3S,4S)-5-((tert-butyldimethylsilyl)oxy)-4-methylpent-1-yn-3-ol
CID 123633811

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol?
The IUPAC name of (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol (CID 135039763) is (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol.
What is the SMILES notation for (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol?
The canonical SMILES for (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol is CCC(CC)[C@H](O)C#CC(C)(C)O[Si](C)(C)C.
What is the InChIKey of (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol?
The InChIKey is NTKQIFWOLQSXTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-12(9-2)13(15)10-11-14(3,4)16-17(5,6)7/h12-13,15H,8-9H2,1-7H3/t13-/m1/s1.
What are the key properties of (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol?
(4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol has a molecular weight of 256.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethyl-7-methyl-7-trimethylsilyloxyoct-5-yn-4-ol is sourced from PubChem (CID 135039763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).