[(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane

C20H32O3Si — CID 11405342

IUPAC[(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC/C=C/c1ccc2c(c1)OCO2)(C(C)C)C(C)C
InChIInChI=1S/C20H32O3Si/c1-15(2)24(16(3)4,17(5)6)23-12-8-7-9-18-10-11-19-20(13-18)22-14-21-19/h7,9-11,13,15-17H,8,12,14H2,1-6H3/b9-7+
InChIKeyJCFVQEVLCDVOIS-VQHVLOKHSA-N
MW348.56 g/mol
LogP6.01
Rot. Bonds8

About [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane

[(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 11405342) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane
PubChem CID11405342
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name[(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC/C=C/c1ccc2c(c1)OCO2)(C(C)C)C(C)C
InChIInChI=1S/C20H32O3Si/c1-15(2)24(16(3)4,17(5)6)23-12-8-7-9-18-10-11-19-20(13-18)22-14-21-19/h7,9-11,13,15-17H,8,12,14H2,1-6H3/b9-7+
InChIKeyJCFVQEVLCDVOIS-VQHVLOKHSA-N
XLogP6.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-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

Related Compounds

[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] methyl carbonate
CID 101356088
14-(1,3-benzodioxol-5-yl)tetradec-13-en-2-one
CID 71417054
formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
2-(6-bromo-1,3-benzodioxol-5-yl)ethoxy-tri(propan-2-yl)silane
CID 11989001
3-hydroxypropyl (E)-6-(1,3-benzodioxol-5-yl)hex-5-enoate
CID 10968306
(E)-4-(1,3-benzodioxol-5-yl)-1-(dimethylamino)but-3-en-2-ol
CID 145453443
1-(1,3-benzodioxol-5-yl)-4-methylpent-1-en-3-ol
CID 3045182
[(1Z,4E)-5-(1,3-benzodioxol-5-yl)-2-(methoxymethyl)penta-1,4-dienyl]-trimethylsilane
CID 11278125
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169465574
(2E,12E)-13-(1,3-benzodioxol-5-yl)trideca-2,12-dienoic acid
CID 10664180
11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,10-trienamide
CID 585120

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane (CID 11405342) is [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane is CC(C)[Si](OCC/C=C/c1ccc2c(c1)OCO2)(C(C)C)C(C)C.
What is the InChIKey of [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane?
The InChIKey is JCFVQEVLCDVOIS-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-15(2)24(16(3)4,17(5)6)23-12-8-7-9-18-10-11-19-20(13-18)22-14-21-19/h7,9-11,13,15-17H,8,12,14H2,1-6H3/b9-7+.
What are the key properties of [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane?
[(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 348.56 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(1,3-benzodioxol-5-yl)but-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11405342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).