chloro(cyclooctatetraenyl)silane

C8H9ClSi — CID 173317977

IUPACchloro(cyclooctatetraenyl)silane
SMILESCl[SiH2]C1=C/C=C\C=C/C=C1
InChIInChI=1S/C8H9ClSi/c9-10-8-6-4-2-1-3-5-7-8/h1-7H,10H2/b2-1-,3-1-,4-2-,5-3?,6-4?,7-5?,8-6?,8-7?
InChIKeyYMJUJBKNYSNUQU-FNXFMOHLSA-N
MW168.70 g/mol
LogP1.88
Rot. Bonds1

About chloro(cyclooctatetraenyl)silane

chloro(cyclooctatetraenyl)silane (PubChem CID 173317977) has the molecular formula C8H9ClSi and a molecular weight of 168.70 g/mol. Its IUPAC name is chloro(cyclooctatetraenyl)silane.

Molecular Properties

Compound Namechloro(cyclooctatetraenyl)silane
PubChem CID173317977
Molecular FormulaC8H9ClSi
Molecular Weight168.70 g/mol
Exact Mass168.02
IUPAC Namechloro(cyclooctatetraenyl)silane
SMILESCl[SiH2]C1=C/C=C\C=C/C=C1
InChIInChI=1S/C8H9ClSi/c9-10-8-6-4-2-1-3-5-7-8/h1-7H,10H2/b2-1-,3-1-,4-2-,5-3?,6-4?,7-5?,8-6?,8-7?
InChIKeyYMJUJBKNYSNUQU-FNXFMOHLSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.70
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro(cyclooctatetraenyl)silane?
The IUPAC name of chloro(cyclooctatetraenyl)silane (CID 173317977) is chloro(cyclooctatetraenyl)silane.
What is the SMILES notation for chloro(cyclooctatetraenyl)silane?
The canonical SMILES for chloro(cyclooctatetraenyl)silane is Cl[SiH2]C1=C/C=C\C=C/C=C1.
What is the InChIKey of chloro(cyclooctatetraenyl)silane?
The InChIKey is YMJUJBKNYSNUQU-FNXFMOHLSA-N. The full InChI is InChI=1S/C8H9ClSi/c9-10-8-6-4-2-1-3-5-7-8/h1-7H,10H2/b2-1-,3-1-,4-2-,5-3?,6-4?,7-5?,8-6?,8-7?.
What are the key properties of chloro(cyclooctatetraenyl)silane?
chloro(cyclooctatetraenyl)silane has a molecular weight of 168.70 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(cyclooctatetraenyl)silane is sourced from PubChem (CID 173317977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).