butyl-dimethyl-(3-methylhept-1-ynoxy)silane

C14H28OSi — CID 87948168

IUPACbutyl-dimethyl-(3-methylhept-1-ynoxy)silane
SMILESCCCCC(C)C#CO[Si](C)(C)CCCC
InChIInChI=1S/C14H28OSi/c1-6-8-10-14(3)11-12-15-16(4,5)13-9-7-2/h14H,6-10,13H2,1-5H3
InChIKeyLJOXYXGLYCUDJH-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.80
Rot. Bonds7

About butyl-dimethyl-(3-methylhept-1-ynoxy)silane

butyl-dimethyl-(3-methylhept-1-ynoxy)silane (PubChem CID 87948168) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is butyl-dimethyl-(3-methylhept-1-ynoxy)silane.

Molecular Properties

Compound Namebutyl-dimethyl-(3-methylhept-1-ynoxy)silane
PubChem CID87948168
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Namebutyl-dimethyl-(3-methylhept-1-ynoxy)silane
SMILESCCCCC(C)C#CO[Si](C)(C)CCCC
InChIInChI=1S/C14H28OSi/c1-6-8-10-14(3)11-12-15-16(4,5)13-9-7-2/h14H,6-10,13H2,1-5H3
InChIKeyLJOXYXGLYCUDJH-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.80
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-(3-methylhept-1-ynoxy)silane?
The IUPAC name of butyl-dimethyl-(3-methylhept-1-ynoxy)silane (CID 87948168) is butyl-dimethyl-(3-methylhept-1-ynoxy)silane.
What is the SMILES notation for butyl-dimethyl-(3-methylhept-1-ynoxy)silane?
The canonical SMILES for butyl-dimethyl-(3-methylhept-1-ynoxy)silane is CCCCC(C)C#CO[Si](C)(C)CCCC.
What is the InChIKey of butyl-dimethyl-(3-methylhept-1-ynoxy)silane?
The InChIKey is LJOXYXGLYCUDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-6-8-10-14(3)11-12-15-16(4,5)13-9-7-2/h14H,6-10,13H2,1-5H3.
What are the key properties of butyl-dimethyl-(3-methylhept-1-ynoxy)silane?
butyl-dimethyl-(3-methylhept-1-ynoxy)silane has a molecular weight of 240.46 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(3-methylhept-1-ynoxy)silane is sourced from PubChem (CID 87948168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).