butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane

C29H43NO2Si — CID 19033790

IUPACbutyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane
SMILESCCCCCCOc1ccc2c(ccc3cc(OCCCC[Si](C)(C)CCCC)ccc32)n1
InChIInChI=1S/C29H43NO2Si/c1-5-7-9-10-20-32-29-18-16-27-26-15-14-25(23-24(26)13-17-28(27)30-29)31-19-11-12-22-33(3,4)21-8-6-2/h13-18,23H,5-12,19-22H2,1-4H3
InChIKeyJPLTWSSQLHYWNM-UHFFFAOYSA-N
MW465.75 g/mol
LogP9.01
Rot. Bonds15

About butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane

butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane (PubChem CID 19033790) has the molecular formula C29H43NO2Si and a molecular weight of 465.75 g/mol. Its IUPAC name is butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane.

Molecular Properties

Compound Namebutyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane
PubChem CID19033790
Molecular FormulaC29H43NO2Si
Molecular Weight465.75 g/mol
Exact Mass465.31
IUPAC Namebutyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane
SMILESCCCCCCOc1ccc2c(ccc3cc(OCCCC[Si](C)(C)CCCC)ccc32)n1
InChIInChI=1S/C29H43NO2Si/c1-5-7-9-10-20-32-29-18-16-27-26-15-14-25(23-24(26)13-17-28(27)30-29)31-19-11-12-22-33(3,4)21-8-6-2/h13-18,23H,5-12,19-22H2,1-4H3
InChIKeyJPLTWSSQLHYWNM-UHFFFAOYSA-N
XLogP9.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.75
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-8-hexoxybenzo[f]quinoline
CID 21267338
3-heptoxy-8-hexoxybenzo[f]quinoline
CID 21267303
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
1-fluoro-2-heptoxy-7-octoxyphenanthrene
CID 21267320
6-tridecoxyquinoline
CID 174908858
2-pentoxyquinolin-6-amine
CID 43451126
6-(8-bromooctoxy)-2-methoxyquinoline
CID 66960886
1,6-dipentoxynaphthalene
CID 22144299
2-butoxy-7-fluorophenanthrene
CID 18377931
3-hexoxyacridine
CID 141299786
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996

Frequently Asked Questions

What is the IUPAC name of butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane?
The IUPAC name of butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane (CID 19033790) is butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane.
What is the SMILES notation for butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane?
The canonical SMILES for butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane is CCCCCCOc1ccc2c(ccc3cc(OCCCC[Si](C)(C)CCCC)ccc32)n1.
What is the InChIKey of butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane?
The InChIKey is JPLTWSSQLHYWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO2Si/c1-5-7-9-10-20-32-29-18-16-27-26-15-14-25(23-24(26)13-17-28(27)30-29)31-19-11-12-22-33(3,4)21-8-6-2/h13-18,23H,5-12,19-22H2,1-4H3.
What are the key properties of butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane?
butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane has a molecular weight of 465.75 g/mol, XLogP of 9.01, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[4-(3-hexoxybenzo[f]quinolin-8-yl)oxybutyl]-dimethylsilane is sourced from PubChem (CID 19033790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).