chloro(4-methylideneoctan-3-yl)silane

C9H19ClSi — CID 173101641

IUPACchloro(4-methylideneoctan-3-yl)silane
SMILESC=C(CCCC)C(CC)[SiH2]Cl
InChIInChI=1S/C9H19ClSi/c1-4-6-7-8(3)9(5-2)11-10/h9H,3-7,11H2,1-2H3
InChIKeyXZXRSFXIHIBFNF-UHFFFAOYSA-N
MW190.79 g/mol
LogP3.25
Rot. Bonds6

About chloro(4-methylideneoctan-3-yl)silane

chloro(4-methylideneoctan-3-yl)silane (PubChem CID 173101641) has the molecular formula C9H19ClSi and a molecular weight of 190.79 g/mol. Its IUPAC name is chloro(4-methylideneoctan-3-yl)silane.

Molecular Properties

Compound Namechloro(4-methylideneoctan-3-yl)silane
PubChem CID173101641
Molecular FormulaC9H19ClSi
Molecular Weight190.79 g/mol
Exact Mass190.09
IUPAC Namechloro(4-methylideneoctan-3-yl)silane
SMILESC=C(CCCC)C(CC)[SiH2]Cl
InChIInChI=1S/C9H19ClSi/c1-4-6-7-8(3)9(5-2)11-10/h9H,3-7,11H2,1-2H3
InChIKeyXZXRSFXIHIBFNF-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.79
LogP ≤ 53.25
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(4-methylideneoctan-3-yl)silane?
The IUPAC name of chloro(4-methylideneoctan-3-yl)silane (CID 173101641) is chloro(4-methylideneoctan-3-yl)silane.
What is the SMILES notation for chloro(4-methylideneoctan-3-yl)silane?
The canonical SMILES for chloro(4-methylideneoctan-3-yl)silane is C=C(CCCC)C(CC)[SiH2]Cl.
What is the InChIKey of chloro(4-methylideneoctan-3-yl)silane?
The InChIKey is XZXRSFXIHIBFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClSi/c1-4-6-7-8(3)9(5-2)11-10/h9H,3-7,11H2,1-2H3.
What are the key properties of chloro(4-methylideneoctan-3-yl)silane?
chloro(4-methylideneoctan-3-yl)silane has a molecular weight of 190.79 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(4-methylideneoctan-3-yl)silane is sourced from PubChem (CID 173101641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).