butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane

C14H30O2Si — CID 91733091

IUPACbutoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)OCCCC
InChIInChI=1S/C14H30O2Si/c1-6-8-10-11-12-14(3)16-17(4,5)15-13-9-7-2/h11-12,14H,6-10,13H2,1-5H3/b12-11+
InChIKeyHXQNYZUCOIDLPZ-VAWYXSNFSA-N
MW258.48 g/mol
LogP4.66
Rot. Bonds10

About butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane

butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (PubChem CID 91733091) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.

Molecular Properties

Compound Namebutoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
PubChem CID91733091
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Namebutoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane
SMILESCCCC/C=C/C(C)O[Si](C)(C)OCCCC
InChIInChI=1S/C14H30O2Si/c1-6-8-10-11-12-14(3)16-17(4,5)15-13-9-7-2/h11-12,14H,6-10,13H2,1-5H3/b12-11+
InChIKeyHXQNYZUCOIDLPZ-VAWYXSNFSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane 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 butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The IUPAC name of butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane (CID 91733091) is butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane.
What is the SMILES notation for butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The canonical SMILES for butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is CCCC/C=C/C(C)O[Si](C)(C)OCCCC.
What is the InChIKey of butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
The InChIKey is HXQNYZUCOIDLPZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-6-8-10-11-12-14(3)16-17(4,5)15-13-9-7-2/h11-12,14H,6-10,13H2,1-5H3/b12-11+.
What are the key properties of butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane?
butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane has a molecular weight of 258.48 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-dimethyl-[(E)-oct-3-en-2-yl]oxysilane is sourced from PubChem (CID 91733091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).