tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane

C17H34OSi — CID 22873868

IUPACtert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane
SMILESC#C[C@H](CC(C)CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,15-16H,9,11-14H2,1,3-8H3/t15?,16-/m1/s1
InChIKeyCHDOHQCYVUDHBB-OEMAIJDKSA-N
MW282.54 g/mol
LogP5.62
Rot. Bonds8

About tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane (PubChem CID 22873868) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane
PubChem CID22873868
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane
SMILESC#C[C@H](CC(C)CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,15-16H,9,11-14H2,1,3-8H3/t15?,16-/m1/s1
InChIKeyCHDOHQCYVUDHBB-OEMAIJDKSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane (CID 22873868) is tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane is C#C[C@H](CC(C)CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane?
The InChIKey is CHDOHQCYVUDHBB-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H34OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,15-16H,9,11-14H2,1,3-8H3/t15?,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane has a molecular weight of 282.54 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-5-methyldec-1-yn-3-yl]oxysilane is sourced from PubChem (CID 22873868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).