tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane

C16H28OSi — CID 22873866

IUPACtert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)CC#CCC
InChIInChI=1S/C16H28OSi/c1-9-11-12-13-14(3)15(10-2)17-18(7,8)16(4,5)6/h2,14-15H,9,13H2,1,3-8H3/t14?,15-/m1/s1
InChIKeyOEPUWDJPUOTBBQ-YSSOQSIOSA-N
MW264.48 g/mol
LogP4.45
Rot. Bonds4

About tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane

tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane (PubChem CID 22873866) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane
PubChem CID22873866
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nametert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)CC#CCC
InChIInChI=1S/C16H28OSi/c1-9-11-12-13-14(3)15(10-2)17-18(7,8)16(4,5)6/h2,14-15H,9,13H2,1,3-8H3/t14?,15-/m1/s1
InChIKeyOEPUWDJPUOTBBQ-YSSOQSIOSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane (CID 22873866) is tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane is C#C[C@@H](O[Si](C)(C)C(C)(C)C)C(C)CC#CCC.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane?
The InChIKey is OEPUWDJPUOTBBQ-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H28OSi/c1-9-11-12-13-14(3)15(10-2)17-18(7,8)16(4,5)6/h2,14-15H,9,13H2,1,3-8H3/t14?,15-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane has a molecular weight of 264.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-4-methylnona-1,6-diyn-3-yl]oxysilane is sourced from PubChem (CID 22873866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).