chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane

C19H37ClSi — CID 21459611

IUPACchloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane
SMILESC[Si](C)(Cl)CC1CCCCCC/C=C/CCCCCCC1
InChIInChI=1S/C19H37ClSi/c1-21(2,20)18-19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h3-4,19H,5-18H2,1-2H3/b4-3+
InChIKeyXRSOLBHHZCNKGL-ONEGZZNKSA-N
MW329.04 g/mol
LogP7.69
Rot. Bonds2

About chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane

chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane (PubChem CID 21459611) has the molecular formula C19H37ClSi and a molecular weight of 329.04 g/mol. Its IUPAC name is chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane.

Molecular Properties

Compound Namechloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane
PubChem CID21459611
Molecular FormulaC19H37ClSi
Molecular Weight329.04 g/mol
Exact Mass328.24
IUPAC Namechloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane
SMILESC[Si](C)(Cl)CC1CCCCCC/C=C/CCCCCCC1
InChIInChI=1S/C19H37ClSi/c1-21(2,20)18-19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h3-4,19H,5-18H2,1-2H3/b4-3+
InChIKeyXRSOLBHHZCNKGL-ONEGZZNKSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.04
LogP ≤ 57.69
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': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane?
The IUPAC name of chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane (CID 21459611) is chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane.
What is the SMILES notation for chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane?
The canonical SMILES for chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane is C[Si](C)(Cl)CC1CCCCCC/C=C/CCCCCCC1.
What is the InChIKey of chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane?
The InChIKey is XRSOLBHHZCNKGL-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H37ClSi/c1-21(2,20)18-19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h3-4,19H,5-18H2,1-2H3/b4-3+.
What are the key properties of chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane?
chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane has a molecular weight of 329.04 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[[(8E)-cyclohexadec-8-en-1-yl]methyl]-dimethylsilane is sourced from PubChem (CID 21459611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).