[6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane

C29H40NSi+ — CID 174080149

IUPAC[6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane
SMILESC=CC1C(CCC(=C)/C=C\C)c2ccc(C)cc2-c2cc(CCC)c([Si](C)(C)C)c[n+]21
InChIInChI=1S/C29H40NSi/c1-9-12-21(4)14-17-25-24-16-15-22(5)18-26(24)28-19-23(13-10-2)29(31(6,7)8)20-30(28)27(25)11-3/h9,11-12,15-16,18-20,25,27H,3-4,10,13-14,17H2,1-2,5-8H3/q+1/b12-9-
InChIKeyOINSKQOYEXKOGD-XFXZXTDPSA-N
MW430.73 g/mol
LogP7.18
Rot. Bonds8

About [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane

[6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane (PubChem CID 174080149) has the molecular formula C29H40NSi+ and a molecular weight of 430.73 g/mol. Its IUPAC name is [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane
PubChem CID174080149
Molecular FormulaC29H40NSi+
Molecular Weight430.73 g/mol
Exact Mass430.29
IUPAC Name[6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane
SMILESC=CC1C(CCC(=C)/C=C\C)c2ccc(C)cc2-c2cc(CCC)c([Si](C)(C)C)c[n+]21
InChIInChI=1S/C29H40NSi/c1-9-12-21(4)14-17-25-24-16-15-22(5)18-26(24)28-19-23(13-10-2)29(31(6,7)8)20-30(28)27(25)11-3/h9,11-12,15-16,18-20,25,27H,3-4,10,13-14,17H2,1-2,5-8H3/q+1/b12-9-
InChIKeyOINSKQOYEXKOGD-XFXZXTDPSA-N
XLogP7.18
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane?
The IUPAC name of [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane (CID 174080149) is [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane.
What is the SMILES notation for [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane?
The canonical SMILES for [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane is C=CC1C(CCC(=C)/C=C\C)c2ccc(C)cc2-c2cc(CCC)c([Si](C)(C)C)c[n+]21.
What is the InChIKey of [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane?
The InChIKey is OINSKQOYEXKOGD-XFXZXTDPSA-N. The full InChI is InChI=1S/C29H40NSi/c1-9-12-21(4)14-17-25-24-16-15-22(5)18-26(24)28-19-23(13-10-2)29(31(6,7)8)20-30(28)27(25)11-3/h9,11-12,15-16,18-20,25,27H,3-4,10,13-14,17H2,1-2,5-8H3/q+1/b12-9-.
What are the key properties of [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane?
[6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane has a molecular weight of 430.73 g/mol, XLogP of 7.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethenyl-10-methyl-7-[(Z)-3-methylidenehex-4-enyl]-2-propyl-6,7-dihydrobenzo[a]quinolizin-5-ium-3-yl]-trimethylsilane is sourced from PubChem (CID 174080149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).