azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane

C18H37NSi — CID 67432937

IUPACazocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane
SMILESC=C(C)C[Si](CCC)(CCC)CN1CCCCCCC1
InChIInChI=1S/C18H37NSi/c1-5-14-20(15-6-2,16-18(3)4)17-19-12-10-8-7-9-11-13-19/h3,5-17H2,1-2,4H3
InChIKeyAUGGWGXNEMIEGC-UHFFFAOYSA-N
MW295.59 g/mol
LogP5.64
Rot. Bonds8

About azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane

azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane (PubChem CID 67432937) has the molecular formula C18H37NSi and a molecular weight of 295.59 g/mol. Its IUPAC name is azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane.

Molecular Properties

Compound Nameazocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane
PubChem CID67432937
Molecular FormulaC18H37NSi
Molecular Weight295.59 g/mol
Exact Mass295.27
IUPAC Nameazocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane
SMILESC=C(C)C[Si](CCC)(CCC)CN1CCCCCCC1
InChIInChI=1S/C18H37NSi/c1-5-14-20(15-6-2,16-18(3)4)17-19-12-10-8-7-9-11-13-19/h3,5-17H2,1-2,4H3
InChIKeyAUGGWGXNEMIEGC-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.59
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane?
The IUPAC name of azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane (CID 67432937) is azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane.
What is the SMILES notation for azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane?
The canonical SMILES for azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane is C=C(C)C[Si](CCC)(CCC)CN1CCCCCCC1.
What is the InChIKey of azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane?
The InChIKey is AUGGWGXNEMIEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NSi/c1-5-14-20(15-6-2,16-18(3)4)17-19-12-10-8-7-9-11-13-19/h3,5-17H2,1-2,4H3.
What are the key properties of azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane?
azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane has a molecular weight of 295.59 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-ylmethyl-(2-methylprop-2-enyl)-dipropylsilane is sourced from PubChem (CID 67432937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).