butyl-dimethyl-(5-methylhex-1-ynoxy)silane

C13H26OSi — CID 87948098

IUPACbutyl-dimethyl-(5-methylhex-1-ynoxy)silane
SMILESCCCC[Si](C)(C)OC#CCCC(C)C
InChIInChI=1S/C13H26OSi/c1-6-7-12-15(4,5)14-11-9-8-10-13(2)3/h13H,6-8,10,12H2,1-5H3
InChIKeyVKOMODBMTFAQLJ-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.41
Rot. Bonds6

About butyl-dimethyl-(5-methylhex-1-ynoxy)silane

butyl-dimethyl-(5-methylhex-1-ynoxy)silane (PubChem CID 87948098) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is butyl-dimethyl-(5-methylhex-1-ynoxy)silane.

Molecular Properties

Compound Namebutyl-dimethyl-(5-methylhex-1-ynoxy)silane
PubChem CID87948098
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namebutyl-dimethyl-(5-methylhex-1-ynoxy)silane
SMILESCCCC[Si](C)(C)OC#CCCC(C)C
InChIInChI=1S/C13H26OSi/c1-6-7-12-15(4,5)14-11-9-8-10-13(2)3/h13H,6-8,10,12H2,1-5H3
InChIKeyVKOMODBMTFAQLJ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 butyl-dimethyl-(5-methylhex-1-ynoxy)silane?
The IUPAC name of butyl-dimethyl-(5-methylhex-1-ynoxy)silane (CID 87948098) is butyl-dimethyl-(5-methylhex-1-ynoxy)silane.
What is the SMILES notation for butyl-dimethyl-(5-methylhex-1-ynoxy)silane?
The canonical SMILES for butyl-dimethyl-(5-methylhex-1-ynoxy)silane is CCCC[Si](C)(C)OC#CCCC(C)C.
What is the InChIKey of butyl-dimethyl-(5-methylhex-1-ynoxy)silane?
The InChIKey is VKOMODBMTFAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-6-7-12-15(4,5)14-11-9-8-10-13(2)3/h13H,6-8,10,12H2,1-5H3.
What are the key properties of butyl-dimethyl-(5-methylhex-1-ynoxy)silane?
butyl-dimethyl-(5-methylhex-1-ynoxy)silane has a molecular weight of 226.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(5-methylhex-1-ynoxy)silane is sourced from PubChem (CID 87948098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).