2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane

C16H30O5Si — CID 134864608

IUPAC2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane
SMILESCC1(C)O[C@H]2[C@H](/C=C/COCOCC[Si](C)(C)C)OC[C@H]2O1
InChIInChI=1S/C16H30O5Si/c1-16(2)20-14-11-19-13(15(14)21-16)7-6-8-17-12-18-9-10-22(3,4)5/h6-7,13-15H,8-12H2,1-5H3/b7-6+/t13-,14+,15-/m0/s1
InChIKeyHIICKNGWEAGKIW-PZECUIMESA-N
MW330.50 g/mol
LogP2.79
Rot. Bonds8

About 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane

2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane (PubChem CID 134864608) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane
PubChem CID134864608
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane
SMILESCC1(C)O[C@H]2[C@H](/C=C/COCOCC[Si](C)(C)C)OC[C@H]2O1
InChIInChI=1S/C16H30O5Si/c1-16(2)20-14-11-19-13(15(14)21-16)7-6-8-17-12-18-9-10-22(3,4)5/h6-7,13-15H,8-12H2,1-5H3/b7-6+/t13-,14+,15-/m0/s1
InChIKeyHIICKNGWEAGKIW-PZECUIMESA-N
XLogP2.79
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane 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

3-[(2R,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane
CID 59026925
3-[6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]prop-1-ynyl-trimethylsilane
CID 68714309
[(2S,3S,6R)-6-(1,3-dioxolan-2-ylmethyl)-3-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl-trimethylsilane
CID 70903432
[(3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tri(propan-2-yl)silane
CID 10245030
[(E)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane
CID 10721038
[(Z)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enoxy]methyl-tributylstannane
CID 10721039
[(3aS,4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10754547
tert-butyl-[(1E,3E)-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxybuta-1,3-dienyl]-dimethylsilane
CID 11004189
(E)-3-[(3aR,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-en-1-ol
CID 11034901
1,2-Isopropylidene-3S-O-T-butyl dimethyl silyl-4-vinyl tetrahydrofuran
CID 11098626
[(1S,2S,5R,7S)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane
CID 11232651
[(1R,2R,5S,7R)-2-[(E)-but-2-enoxy]-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy-tert-butyl-dimethylsilane
CID 11370826

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane (CID 134864608) is 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane is CC1(C)O[C@H]2[C@H](/C=C/COCOCC[Si](C)(C)C)OC[C@H]2O1.
What is the InChIKey of 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane?
The InChIKey is HIICKNGWEAGKIW-PZECUIMESA-N. The full InChI is InChI=1S/C16H30O5Si/c1-16(2)20-14-11-19-13(15(14)21-16)7-6-8-17-12-18-9-10-22(3,4)5/h6-7,13-15H,8-12H2,1-5H3/b7-6+/t13-,14+,15-/m0/s1.
What are the key properties of 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane?
2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane has a molecular weight of 330.50 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoxy]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 134864608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).