9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane

C18H27ISi — CID 86240043

IUPAC9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#CCCCC#CI)(C(C)C)C(C)C
InChIInChI=1S/C18H27ISi/c1-16(2)20(17(3)4,18(5)6)15-13-11-9-7-8-10-12-14-19/h16-18H,7-8,10H2,1-6H3
InChIKeyOPVPQQZILUNQMH-UHFFFAOYSA-N
MW398.40 g/mol
LogP5.78
Rot. Bonds5

About 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane

9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane (PubChem CID 86240043) has the molecular formula C18H27ISi and a molecular weight of 398.40 g/mol. Its IUPAC name is 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane
PubChem CID86240043
Molecular FormulaC18H27ISi
Molecular Weight398.40 g/mol
Exact Mass398.09
IUPAC Name9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#CCCCC#CI)(C(C)C)C(C)C
InChIInChI=1S/C18H27ISi/c1-16(2)20(17(3)4,18(5)6)15-13-11-9-7-8-10-12-14-19/h16-18H,7-8,10H2,1-6H3
InChIKeyOPVPQQZILUNQMH-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 55.78
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane?
The IUPAC name of 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane (CID 86240043) is 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane?
The canonical SMILES for 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CC#CCCCC#CI)(C(C)C)C(C)C.
What is the InChIKey of 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane?
The InChIKey is OPVPQQZILUNQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ISi/c1-16(2)20(17(3)4,18(5)6)15-13-11-9-7-8-10-12-14-19/h16-18H,7-8,10H2,1-6H3.
What are the key properties of 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane?
9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane has a molecular weight of 398.40 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodonona-1,3,8-triynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 86240043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).