6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane

C21H34OSi — CID 102126076

IUPAC6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCCCOc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H34OSi/c1-18(2)23(19(3)4,20(5)6)17-13-8-7-12-16-22-21-14-10-9-11-15-21/h9-11,14-15,18-20H,7-8,12,16H2,1-6H3
InChIKeyFRZKDMHCFXMLRJ-UHFFFAOYSA-N
MW330.59 g/mol
LogP6.46
Rot. Bonds8

About 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane

6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane (PubChem CID 102126076) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane
PubChem CID102126076
Molecular FormulaC21H34OSi
Molecular Weight330.59 g/mol
Exact Mass330.24
IUPAC Name6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCCCOc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H34OSi/c1-18(2)23(19(3)4,20(5)6)17-13-8-7-12-16-22-21-14-10-9-11-15-21/h9-11,14-15,18-20H,7-8,12,16H2,1-6H3
InChIKeyFRZKDMHCFXMLRJ-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 56.46
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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Related Compounds

[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane
CID 154631759
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
CID 175036788
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
pentoxybenzene;undecane
CID 174778179
10-methyldodecoxybenzene
CID 143389992
3-propan-2-ylsulfanylpropoxybenzene
CID 30619859
2-(2-phenoxyethoxy)ethoxy-tri(propan-2-yl)silane
CID 142630702
dimethyl(4-phenoxybutyl)phosphane
CID 168765216
5-(3-phenoxypropylamino)pentanenitrile
CID 60697093
1-(5,6-diphenylheptyl)-4-hex-5-ynoxybenzene
CID 158783637
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117

Frequently Asked Questions

What is the IUPAC name of 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane (CID 102126076) is 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCCCCOc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is FRZKDMHCFXMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34OSi/c1-18(2)23(19(3)4,20(5)6)17-13-8-7-12-16-22-21-14-10-9-11-15-21/h9-11,14-15,18-20H,7-8,12,16H2,1-6H3.
What are the key properties of 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane?
6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 330.59 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 102126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).