hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane

C24H33IOSi — CID 88918102

IUPAChydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane
SMILESC=C(I)CC(C)(C)CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33IOSi/c1-20(25)19-23(2,3)17-12-18-24(4,5)27(26,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,26H,1,12,17-19H2,2-5H3
InChIKeyURKQKTCSQNHREV-UHFFFAOYSA-N
MW492.52 g/mol
LogP6.05
Rot. Bonds9

About hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane

hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane (PubChem CID 88918102) has the molecular formula C24H33IOSi and a molecular weight of 492.52 g/mol. Its IUPAC name is hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane.

Molecular Properties

Compound Namehydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane
PubChem CID88918102
Molecular FormulaC24H33IOSi
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Namehydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane
SMILESC=C(I)CC(C)(C)CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33IOSi/c1-20(25)19-23(2,3)17-12-18-24(4,5)27(26,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,26H,1,12,17-19H2,2-5H3
InChIKeyURKQKTCSQNHREV-UHFFFAOYSA-N
XLogP6.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane?
The IUPAC name of hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane (CID 88918102) is hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane.
What is the SMILES notation for hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane?
The canonical SMILES for hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane is C=C(I)CC(C)(C)CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane?
The InChIKey is URKQKTCSQNHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33IOSi/c1-20(25)19-23(2,3)17-12-18-24(4,5)27(26,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,26H,1,12,17-19H2,2-5H3.
What are the key properties of hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane?
hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane has a molecular weight of 492.52 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(8-iodo-2,6,6-trimethylnon-8-en-2-yl)-diphenylsilane is sourced from PubChem (CID 88918102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).