dodecan-6-yloxysilane

C12H28OSi — CID 123489431

IUPACdodecan-6-yloxysilane
SMILESCCCCCCC(CCCCC)O[SiH3]
InChIInChI=1S/C12H28OSi/c1-3-5-7-9-11-12(13-14)10-8-6-4-2/h12H,3-11H2,1-2,14H3
InChIKeyDEPPZCTZBQCTQV-UHFFFAOYSA-N
MW216.44 g/mol
LogP3.20
Rot. Bonds10

About dodecan-6-yloxysilane

dodecan-6-yloxysilane (PubChem CID 123489431) has the molecular formula C12H28OSi and a molecular weight of 216.44 g/mol. Its IUPAC name is dodecan-6-yloxysilane.

Molecular Properties

Compound Namedodecan-6-yloxysilane
PubChem CID123489431
Molecular FormulaC12H28OSi
Molecular Weight216.44 g/mol
Exact Mass216.19
IUPAC Namedodecan-6-yloxysilane
SMILESCCCCCCC(CCCCC)O[SiH3]
InChIInChI=1S/C12H28OSi/c1-3-5-7-9-11-12(13-14)10-8-6-4-2/h12H,3-11H2,1-2,14H3
InChIKeyDEPPZCTZBQCTQV-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.44
LogP ≤ 53.20
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'}

Analyze dodecan-6-yloxysilane 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 dodecan-6-yloxysilane?
The IUPAC name of dodecan-6-yloxysilane (CID 123489431) is dodecan-6-yloxysilane.
What is the SMILES notation for dodecan-6-yloxysilane?
The canonical SMILES for dodecan-6-yloxysilane is CCCCCCC(CCCCC)O[SiH3].
What is the InChIKey of dodecan-6-yloxysilane?
The InChIKey is DEPPZCTZBQCTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi/c1-3-5-7-9-11-12(13-14)10-8-6-4-2/h12H,3-11H2,1-2,14H3.
What are the key properties of dodecan-6-yloxysilane?
dodecan-6-yloxysilane has a molecular weight of 216.44 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-6-yloxysilane is sourced from PubChem (CID 123489431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).