butyl-hept-1-ynoxy-dimethylsilane

C13H26OSi — CID 87948017

IUPACbutyl-hept-1-ynoxy-dimethylsilane
SMILESCCCCCC#CO[Si](C)(C)CCCC
InChIInChI=1S/C13H26OSi/c1-5-7-9-10-11-12-14-15(3,4)13-8-6-2/h5-10,13H2,1-4H3
InChIKeyFOKOKEKALJGEPM-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.55
Rot. Bonds7

About butyl-hept-1-ynoxy-dimethylsilane

butyl-hept-1-ynoxy-dimethylsilane (PubChem CID 87948017) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is butyl-hept-1-ynoxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-hept-1-ynoxy-dimethylsilane
PubChem CID87948017
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Namebutyl-hept-1-ynoxy-dimethylsilane
SMILESCCCCCC#CO[Si](C)(C)CCCC
InChIInChI=1S/C13H26OSi/c1-5-7-9-10-11-12-14-15(3,4)13-8-6-2/h5-10,13H2,1-4H3
InChIKeyFOKOKEKALJGEPM-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl-hept-1-ynoxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl-hept-1-ynoxy-dimethylsilane?
The IUPAC name of butyl-hept-1-ynoxy-dimethylsilane (CID 87948017) is butyl-hept-1-ynoxy-dimethylsilane.
What is the SMILES notation for butyl-hept-1-ynoxy-dimethylsilane?
The canonical SMILES for butyl-hept-1-ynoxy-dimethylsilane is CCCCCC#CO[Si](C)(C)CCCC.
What is the InChIKey of butyl-hept-1-ynoxy-dimethylsilane?
The InChIKey is FOKOKEKALJGEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-5-7-9-10-11-12-14-15(3,4)13-8-6-2/h5-10,13H2,1-4H3.
What are the key properties of butyl-hept-1-ynoxy-dimethylsilane?
butyl-hept-1-ynoxy-dimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-hept-1-ynoxy-dimethylsilane is sourced from PubChem (CID 87948017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).