3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole

C14H22O3Si — CID 102031096

IUPAC3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole
SMILESC=C/C=C/CCC1C=C(C2OCCO2)[Si](C)(C)O1
InChIInChI=1S/C14H22O3Si/c1-4-5-6-7-8-12-11-13(18(2,3)17-12)14-15-9-10-16-14/h4-6,11-12,14H,1,7-10H2,2-3H3/b6-5+
InChIKeyMIULBLOJGVKWPI-AATRIKPKSA-N
MW266.41 g/mol
LogP2.95
Rot. Bonds5

About 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole

3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole (PubChem CID 102031096) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole
PubChem CID102031096
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole
SMILESC=C/C=C/CCC1C=C(C2OCCO2)[Si](C)(C)O1
InChIInChI=1S/C14H22O3Si/c1-4-5-6-7-8-12-11-13(18(2,3)17-12)14-15-9-10-16-14/h4-6,11-12,14H,1,7-10H2,2-3H3/b6-5+
InChIKeyMIULBLOJGVKWPI-AATRIKPKSA-N
XLogP2.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole 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

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
tert-butyl-[(3E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 10755509
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
((3aR,7aS)-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxol-5-yl)trimethylsilane (racemic)
CID 125462006
tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134972528
tert-butyl-[(3E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)penta-1,3-dien-2-yl]oxy-dimethylsilane
CID 132472691
CID 9991129
CID 9991129
[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]methyl-trimethylsilane
CID 10014459
CID 10036038
CID 10036038
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-ethoxy-dimethylsilane
CID 10083667
[(3aS,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-trimethylsilane
CID 10376352

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole (CID 102031096) is 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole is C=C/C=C/CCC1C=C(C2OCCO2)[Si](C)(C)O1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole?
The InChIKey is MIULBLOJGVKWPI-AATRIKPKSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-4-5-6-7-8-12-11-13(18(2,3)17-12)14-15-9-10-16-14/h4-6,11-12,14H,1,7-10H2,2-3H3/b6-5+.
What are the key properties of 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole?
3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole has a molecular weight of 266.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-5-[(3E)-hexa-3,5-dienyl]-2,2-dimethyl-5H-oxasilole is sourced from PubChem (CID 102031096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).