chloromethyl-dimethyl-oct-1-ynylsilane

C11H21ClSi — CID 13359324

IUPACchloromethyl-dimethyl-oct-1-ynylsilane
SMILESCCCCCCC#C[Si](C)(C)CCl
InChIInChI=1S/C11H21ClSi/c1-4-5-6-7-8-9-10-13(2,3)11-12/h4-8,11H2,1-3H3
InChIKeyLOVFQHYIEQRZKV-UHFFFAOYSA-N
MW216.83 g/mol
LogP3.99
Rot. Bonds5

About chloromethyl-dimethyl-oct-1-ynylsilane

chloromethyl-dimethyl-oct-1-ynylsilane (PubChem CID 13359324) has the molecular formula C11H21ClSi and a molecular weight of 216.83 g/mol. Its IUPAC name is chloromethyl-dimethyl-oct-1-ynylsilane.

Molecular Properties

Compound Namechloromethyl-dimethyl-oct-1-ynylsilane
PubChem CID13359324
Molecular FormulaC11H21ClSi
Molecular Weight216.83 g/mol
Exact Mass216.11
IUPAC Namechloromethyl-dimethyl-oct-1-ynylsilane
SMILESCCCCCCC#C[Si](C)(C)CCl
InChIInChI=1S/C11H21ClSi/c1-4-5-6-7-8-9-10-13(2,3)11-12/h4-8,11H2,1-3H3
InChIKeyLOVFQHYIEQRZKV-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.83
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl-dimethyl-oct-1-ynylsilane?
The IUPAC name of chloromethyl-dimethyl-oct-1-ynylsilane (CID 13359324) is chloromethyl-dimethyl-oct-1-ynylsilane.
What is the SMILES notation for chloromethyl-dimethyl-oct-1-ynylsilane?
The canonical SMILES for chloromethyl-dimethyl-oct-1-ynylsilane is CCCCCCC#C[Si](C)(C)CCl.
What is the InChIKey of chloromethyl-dimethyl-oct-1-ynylsilane?
The InChIKey is LOVFQHYIEQRZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClSi/c1-4-5-6-7-8-9-10-13(2,3)11-12/h4-8,11H2,1-3H3.
What are the key properties of chloromethyl-dimethyl-oct-1-ynylsilane?
chloromethyl-dimethyl-oct-1-ynylsilane has a molecular weight of 216.83 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-dimethyl-oct-1-ynylsilane is sourced from PubChem (CID 13359324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).