trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane

C12H22O2Si — CID 14691618

IUPACtrimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane
SMILESCC=C=C(OC1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-5-8-12(15(2,3)4)14-11-9-6-7-10-13-11/h5,11H,6-7,9-10H2,1-4H3
InChIKeyNVGCWBYPFWNXAL-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.47
Rot. Bonds3

About trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane

trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane (PubChem CID 14691618) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane
PubChem CID14691618
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametrimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane
SMILESCC=C=C(OC1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-5-8-12(15(2,3)4)14-11-9-6-7-10-13-11/h5,11H,6-7,9-10H2,1-4H3
InChIKeyNVGCWBYPFWNXAL-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane with MolForge

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

Launch Full Analysis

Related Compounds

trimethyl-[(Z)-7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane
CID 10706640
Trimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
CID 11344891
[(Z)-1-iodo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
CID 24874275
Cyclohexyl-dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]silane
CID 101235928
Dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-prop-2-enylsilane
CID 101235929
Dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-prop-2-enoxysilane
CID 134897559
trimethyl-[(Z)-3-(oxan-2-yloxy)-1-trimethylsilylprop-1-en-2-yl]silane
CID 134949433
[2-Ethenylidene-5-(oxan-2-yloxy)pentyl]-trimethylsilane
CID 139254383
[(E)-1-bromo-4-(oxan-2-yloxy)but-1-enyl]-trimethylsilane
CID 11449642
Allyldimethyl-[4-(terahydropyran-2-yloxy)-but-1-ynyl]-silane
CID 20726336
Ethenyl-dimethyl-[6-(oxan-2-yloxy)hexyl]silane
CID 20726340
Dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane
CID 22717485

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane?
The IUPAC name of trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane (CID 14691618) is trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane.
What is the SMILES notation for trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane?
The canonical SMILES for trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane is CC=C=C(OC1CCCCO1)[Si](C)(C)C.
What is the InChIKey of trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane?
The InChIKey is NVGCWBYPFWNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-5-8-12(15(2,3)4)14-11-9-6-7-10-13-11/h5,11H,6-7,9-10H2,1-4H3.
What are the key properties of trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane?
trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane has a molecular weight of 226.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(oxan-2-yloxy)buta-1,2-dienyl]silane is sourced from PubChem (CID 14691618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).