dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane

C12H22OSi — CID 173013460

IUPACdimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane
SMILESC=CC(C)=CC1([SiH](C)C)CCCCO1
InChIInChI=1S/C12H22OSi/c1-5-11(2)10-12(14(3)4)8-6-7-9-13-12/h5,10,14H,1,6-9H2,2-4H3
InChIKeyGYXUGGZYFWMVGM-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.08
Rot. Bonds3

About dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane

dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane (PubChem CID 173013460) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane.

Molecular Properties

Compound Namedimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane
PubChem CID173013460
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Namedimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane
SMILESC=CC(C)=CC1([SiH](C)C)CCCCO1
InChIInChI=1S/C12H22OSi/c1-5-11(2)10-12(14(3)4)8-6-7-9-13-12/h5,10,14H,1,6-9H2,2-4H3
InChIKeyGYXUGGZYFWMVGM-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane 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 dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane?
The IUPAC name of dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane (CID 173013460) is dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane.
What is the SMILES notation for dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane?
The canonical SMILES for dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane is C=CC(C)=CC1([SiH](C)C)CCCCO1.
What is the InChIKey of dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane?
The InChIKey is GYXUGGZYFWMVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-5-11(2)10-12(14(3)4)8-6-7-9-13-12/h5,10,14H,1,6-9H2,2-4H3.
What are the key properties of dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane?
dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane has a molecular weight of 210.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylbuta-1,3-dienyl)oxan-2-yl]silane is sourced from PubChem (CID 173013460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).