tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane

C14H26OSi — CID 25179950

IUPACtert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane
SMILESC#CC[C@H](CC(=C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-10-13(11-12(2)3)15-16(7,8)14(4,5)6/h1,13H,2,10-11H2,3-8H3/t13-/m1/s1
InChIKeyVBEYTLRHYZFGSJ-CYBMUJFWSA-N
MW238.45 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane (PubChem CID 25179950) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane
PubChem CID25179950
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane
SMILESC#CC[C@H](CC(=C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-10-13(11-12(2)3)15-16(7,8)14(4,5)6/h1,13H,2,10-11H2,3-8H3/t13-/m1/s1
InChIKeyVBEYTLRHYZFGSJ-CYBMUJFWSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

Tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
triethyl-[(4R)-6-methylideneoct-1-yn-4-yl]oxysilane
CID 11265259
tert-butyl-dimethyl-[(3R)-5-methylideneoct-7-en-1-yn-3-yl]oxysilane
CID 134842929
Tert-butyl-dimethyl-(2-methylhex-1-en-5-yn-3-yloxy)silane
CID 135043229
tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane
CID 135045556
Tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-4-yloxy)silane
CID 139252750
(5R)-5-(Tert-butyldimethylsiloxy)-2-methyl-1-octen-7-yne
CID 101618195
Tert-butyl-dimethyl-oct-1-en-7-yn-3-yloxysilane
CID 11128367
5-Methylene-4-triethylsilyloxy-1-octyne
CID 12786182
tert-Butyl-dimethyl-((S)-1-vinyl-pent-4-ynyloxy)-silane
CID 57386253
Trimethyl-(7-methyl-4,5,6-trimethylideneoct-7-en-1-yn-3-yl)oxysilane
CID 88789838
tert-butyl-dimethyl-[(3S)-5-methylideneheptan-3-yl]oxysilane
CID 89408189

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane (CID 25179950) is tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane is C#CC[C@H](CC(=C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane?
The InChIKey is VBEYTLRHYZFGSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26OSi/c1-9-10-13(11-12(2)3)15-16(7,8)14(4,5)6/h1,13H,2,10-11H2,3-8H3/t13-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-2-methylhept-1-en-6-yn-4-yl]oxysilane is sourced from PubChem (CID 25179950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).