[(E)-but-2-enoxy]-dodecoxy-dimethylsilane

C18H38O2Si — CID 91697273

IUPAC[(E)-but-2-enoxy]-dodecoxy-dimethylsilane
SMILESC/C=C/CO[Si](C)(C)OCCCCCCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h6,8H,5,7,9-18H2,1-4H3/b8-6+
InChIKeyOKDBKEAFLDFSLG-SOFGYWHQSA-N
MW314.59 g/mol
LogP6.22
Rot. Bonds15

About [(E)-but-2-enoxy]-dodecoxy-dimethylsilane

[(E)-but-2-enoxy]-dodecoxy-dimethylsilane (PubChem CID 91697273) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is [(E)-but-2-enoxy]-dodecoxy-dimethylsilane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]-dodecoxy-dimethylsilane
PubChem CID91697273
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name[(E)-but-2-enoxy]-dodecoxy-dimethylsilane
SMILESC/C=C/CO[Si](C)(C)OCCCCCCCCCCCC
InChIInChI=1S/C18H38O2Si/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h6,8H,5,7,9-18H2,1-4H3/b8-6+
InChIKeyOKDBKEAFLDFSLG-SOFGYWHQSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 56.22
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 [(E)-but-2-enoxy]-dodecoxy-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 [(E)-but-2-enoxy]-dodecoxy-dimethylsilane?
The IUPAC name of [(E)-but-2-enoxy]-dodecoxy-dimethylsilane (CID 91697273) is [(E)-but-2-enoxy]-dodecoxy-dimethylsilane.
What is the SMILES notation for [(E)-but-2-enoxy]-dodecoxy-dimethylsilane?
The canonical SMILES for [(E)-but-2-enoxy]-dodecoxy-dimethylsilane is C/C=C/CO[Si](C)(C)OCCCCCCCCCCCC.
What is the InChIKey of [(E)-but-2-enoxy]-dodecoxy-dimethylsilane?
The InChIKey is OKDBKEAFLDFSLG-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-5-7-9-10-11-12-13-14-15-16-18-20-21(3,4)19-17-8-6-2/h6,8H,5,7,9-18H2,1-4H3/b8-6+.
What are the key properties of [(E)-but-2-enoxy]-dodecoxy-dimethylsilane?
[(E)-but-2-enoxy]-dodecoxy-dimethylsilane has a molecular weight of 314.59 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]-dodecoxy-dimethylsilane is sourced from PubChem (CID 91697273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).