chloro-(8-naphthalen-1-yloctyl)-diphenylsilane

C30H33ClSi — CID 169088136

IUPACchloro-(8-naphthalen-1-yloctyl)-diphenylsilane
SMILESCl[Si](CCCCCCCCc1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33ClSi/c31-32(28-20-8-5-9-21-28,29-22-10-6-11-23-29)25-14-4-2-1-3-7-16-26-18-15-19-27-17-12-13-24-30(26)27/h5-6,8-13,15,17-24H,1-4,7,14,16,25H2
InChIKeyOQILPMFZJRAKTI-UHFFFAOYSA-N
MW457.13 g/mol
LogP7.72
Rot. Bonds11

About chloro-(8-naphthalen-1-yloctyl)-diphenylsilane

chloro-(8-naphthalen-1-yloctyl)-diphenylsilane (PubChem CID 169088136) has the molecular formula C30H33ClSi and a molecular weight of 457.13 g/mol. Its IUPAC name is chloro-(8-naphthalen-1-yloctyl)-diphenylsilane.

Molecular Properties

Compound Namechloro-(8-naphthalen-1-yloctyl)-diphenylsilane
PubChem CID169088136
Molecular FormulaC30H33ClSi
Molecular Weight457.13 g/mol
Exact Mass456.20
IUPAC Namechloro-(8-naphthalen-1-yloctyl)-diphenylsilane
SMILESCl[Si](CCCCCCCCc1cccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33ClSi/c31-32(28-20-8-5-9-21-28,29-22-10-6-11-23-29)25-14-4-2-1-3-7-16-26-18-15-19-27-17-12-13-24-30(26)27/h5-6,8-13,15,17-24H,1-4,7,14,16,25H2
InChIKeyOQILPMFZJRAKTI-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.13
LogP ≤ 57.72
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': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(4-naphthalen-1-ylbutyl)-phenylsilane
CID 102040276
8-naphthalen-1-yloctan-1-amine
CID 100987116
1-tetradecylnaphthalene
CID 14402128
5-naphthalen-1-ylpentyl thiohypochlorite
CID 139608477
1-(4-fluorobutyl)naphthalene
CID 174977280
potassium;hydride;1-octylnaphthalene
CID 173443599
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369
1-non-8-enylnaphthalene
CID 101304361
3-naphthalen-1-ylpropan-1-ol
CID 14711518
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
1-butylnaphthalene;ethane
CID 142087052
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426

Frequently Asked Questions

What is the IUPAC name of chloro-(8-naphthalen-1-yloctyl)-diphenylsilane?
The IUPAC name of chloro-(8-naphthalen-1-yloctyl)-diphenylsilane (CID 169088136) is chloro-(8-naphthalen-1-yloctyl)-diphenylsilane.
What is the SMILES notation for chloro-(8-naphthalen-1-yloctyl)-diphenylsilane?
The canonical SMILES for chloro-(8-naphthalen-1-yloctyl)-diphenylsilane is Cl[Si](CCCCCCCCc1cccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-(8-naphthalen-1-yloctyl)-diphenylsilane?
The InChIKey is OQILPMFZJRAKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClSi/c31-32(28-20-8-5-9-21-28,29-22-10-6-11-23-29)25-14-4-2-1-3-7-16-26-18-15-19-27-17-12-13-24-30(26)27/h5-6,8-13,15,17-24H,1-4,7,14,16,25H2.
What are the key properties of chloro-(8-naphthalen-1-yloctyl)-diphenylsilane?
chloro-(8-naphthalen-1-yloctyl)-diphenylsilane has a molecular weight of 457.13 g/mol, XLogP of 7.72, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(8-naphthalen-1-yloctyl)-diphenylsilane is sourced from PubChem (CID 169088136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).