1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione

C14H20O4Si — CID 72965758

IUPAC1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
SMILESC=CC1OC(C=CC[Si](C)(C)C)C2C(=O)OC(=O)C12
InChIInChI=1S/C14H20O4Si/c1-5-9-11-12(14(16)18-13(11)15)10(17-9)7-6-8-19(2,3)4/h5-7,9-12H,1,8H2,2-4H3
InChIKeyTTWBVWZUYQCQBB-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.15
Rot. Bonds4

About 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione

1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione (PubChem CID 72965758) has the molecular formula C14H20O4Si and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione.

Molecular Properties

Compound Name1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
PubChem CID72965758
Molecular FormulaC14H20O4Si
Molecular Weight280.40 g/mol
Exact Mass280.11
IUPAC Name1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
SMILESC=CC1OC(C=CC[Si](C)(C)C)C2C(=O)OC(=O)C12
InChIInChI=1S/C14H20O4Si/c1-5-9-11-12(14(16)18-13(11)15)10(17-9)7-6-8-19(2,3)4/h5-7,9-12H,1,8H2,2-4H3
InChIKeyTTWBVWZUYQCQBB-UHFFFAOYSA-N
XLogP2.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione 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

3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
CID 98484
exo-5,6-Dehydronorcantharidin
CID 513915
(1S,4R)-7-Oxa-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid dimethyl ester
CID 44351170
7-Oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, dimethyl ester, (exo,exo)-
CID 99205
Dimethyl 7-oxabicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 304349
(1R,2R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3006651
dimethyl (1S,2S,3R,4S)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 90679333
4-Methyl-3a,4,7,7a-tetrahydro-4,7-epoxy-2-benzofuran-1,3-dione
CID 277499
4,10-Dioxatricyclo(5.2.1.0(2,6))decan-8-en-3-one
CID 331417
4,10-Dioxatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
CID 9815309
4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-3a,7a-dimethyl-
CID 381107
exo-3a,4,7,7a-Tetrahydro-4,7-epoxyisobenzofuran-1,3-dione
CID 12240267

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The IUPAC name of 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione (CID 72965758) is 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione.
What is the SMILES notation for 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The canonical SMILES for 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione is C=CC1OC(C=CC[Si](C)(C)C)C2C(=O)OC(=O)C12.
What is the InChIKey of 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The InChIKey is TTWBVWZUYQCQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4Si/c1-5-9-11-12(14(16)18-13(11)15)10(17-9)7-6-8-19(2,3)4/h5-7,9-12H,1,8H2,2-4H3.
What are the key properties of 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione has a molecular weight of 280.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione is sourced from PubChem (CID 72965758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).