dimethyl-oct-1-ynyl-phenylsilane

C16H24Si — CID 13357120

IUPACdimethyl-oct-1-ynyl-phenylsilane
SMILESCCCCCCC#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24Si/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8H2,1-3H3
InChIKeyJPEBWXDQZLJVEM-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.11
Rot. Bonds5

About dimethyl-oct-1-ynyl-phenylsilane

dimethyl-oct-1-ynyl-phenylsilane (PubChem CID 13357120) has the molecular formula C16H24Si and a molecular weight of 244.45 g/mol. Its IUPAC name is dimethyl-oct-1-ynyl-phenylsilane.

Molecular Properties

Compound Namedimethyl-oct-1-ynyl-phenylsilane
PubChem CID13357120
Molecular FormulaC16H24Si
Molecular Weight244.45 g/mol
Exact Mass244.16
IUPAC Namedimethyl-oct-1-ynyl-phenylsilane
SMILESCCCCCCC#C[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24Si/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8H2,1-3H3
InChIKeyJPEBWXDQZLJVEM-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

[(E)-2-(2-chlorophenyl)ethenyl]-[4-[hept-1-ynyl(dimethyl)silyl]phenyl]-dimethylsilane
CID 67035471
3-iodoprop-1-ynyl-dimethyl-phenylsilane
CID 164685330
tridec-1-ynylbenzene
CID 19991064
dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane
CID 134884951
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
ethane;non-1-ynylbenzene
CID 143616673
3-methoxyprop-1-ynyl-dimethyl-phenylsilane
CID 140704450
dec-3-ynylbenzene
CID 13130420
decyl-methyl-diphenylsilane
CID 15259590
icosyl-dimethyl-phenylsilane
CID 91054385
dihexyl-methyl-phenylsilane
CID 71342172
1,2-bis(oct-1-ynyl)benzene
CID 11087701

Frequently Asked Questions

What is the IUPAC name of dimethyl-oct-1-ynyl-phenylsilane?
The IUPAC name of dimethyl-oct-1-ynyl-phenylsilane (CID 13357120) is dimethyl-oct-1-ynyl-phenylsilane.
What is the SMILES notation for dimethyl-oct-1-ynyl-phenylsilane?
The canonical SMILES for dimethyl-oct-1-ynyl-phenylsilane is CCCCCCC#C[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-oct-1-ynyl-phenylsilane?
The InChIKey is JPEBWXDQZLJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Si/c1-4-5-6-7-8-12-15-17(2,3)16-13-10-9-11-14-16/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of dimethyl-oct-1-ynyl-phenylsilane?
dimethyl-oct-1-ynyl-phenylsilane has a molecular weight of 244.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-oct-1-ynyl-phenylsilane is sourced from PubChem (CID 13357120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).