dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

C12H22Cl2OSi — CID 531252

IUPACdichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C12H22Cl2OSi/c1-6-7-8-11(9-10(2)3)15-16(4,5)12(13)14/h10-12H,6,9H2,1-5H3
InChIKeyXJKGTPOVKBBFCX-UHFFFAOYSA-N
MW281.30 g/mol
LogP4.38
Rot. Bonds5

About dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 531252) has the molecular formula C12H22Cl2OSi and a molecular weight of 281.30 g/mol. Its IUPAC name is dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Namedichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
PubChem CID531252
Molecular FormulaC12H22Cl2OSi
Molecular Weight281.30 g/mol
Exact Mass280.08
IUPAC Namedichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)C(Cl)Cl
InChIInChI=1S/C12H22Cl2OSi/c1-6-7-8-11(9-10(2)3)15-16(4,5)12(13)14/h10-12H,6,9H2,1-5H3
InChIKeyXJKGTPOVKBBFCX-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (CID 531252) is dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)C(Cl)Cl.
What is the InChIKey of dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is XJKGTPOVKBBFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl2OSi/c1-6-7-8-11(9-10(2)3)15-16(4,5)12(13)14/h10-12H,6,9H2,1-5H3.
What are the key properties of dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 281.30 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethyl-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 531252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).