(1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione

C14H20O4Si — CID 177483303

IUPAC(1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
SMILESC=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@@H]2C(=O)OC(=O)[C@@H]21
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/b7-6+/t9-,10+,11-,12+/m1/s1
InChIKeyTTWBVWZUYQCQBB-PCUKCJQYSA-N
MW280.40 g/mol
LogP2.15
Rot. Bonds4

About (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione

(1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione (PubChem CID 177483303) has the molecular formula C14H20O4Si and a molecular weight of 280.40 g/mol. Its IUPAC name is (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione.

Molecular Properties

Compound Name(1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
PubChem CID177483303
Molecular FormulaC14H20O4Si
Molecular Weight280.40 g/mol
Exact Mass280.11
IUPAC Name(1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
SMILESC=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@@H]2C(=O)OC(=O)[C@@H]21
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/b7-6+/t9-,10+,11-,12+/m1/s1
InChIKeyTTWBVWZUYQCQBB-PCUKCJQYSA-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 (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione with MolForge

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Related Compounds

1-ethenyl-3-(3-trimethylsilylprop-1-enyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
CID 72965758
(3aS,6aR)-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione
CID 122592323
methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate
CID 58193696
methane;methyl 3-ethenyl-5-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-2-(formyloxymethyl)cyclopentane-1-carboxylate;methyl 5-ethenyl-2-[2-(1-ethenyl-4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-3-yl)ethenyl]-4-(formyloxymethyl)oxolane-3-carboxylate
CID 157343102
(3R,5S)-3-ethenyl-1-prop-2-enoyl-5-[(E)-3-trimethylsilylprop-1-enyl]pyrrolidin-2-one
CID 102474513
5-butyl-1,3-bis(ethenyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
CID 121402947
3-(6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-yl)prop-2-enyl acetate
CID 123970791
3-ethenyl-1,5-dimethyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
CID 129191042
(E)-3-[5-ethenyl-3,4-bis(hydroxymethyl)oxolan-2-yl]prop-2-en-1-ol
CID 59658485
(3aR,6aS)-1,3-bis(ethenyl)-5-(2-methoxyethyl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione
CID 122592455
4,10-dioxatetracyclo[5.5.0.02,6.08,12]dodecane-3,5,9,11-tetrone
CID 12717041
trimethyl-[(Z)-4-trimethylsilylbut-2-enyl]silane
CID 10976510

Frequently Asked Questions

What is the IUPAC name of (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The IUPAC name of (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione (CID 177483303) is (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione.
What is the SMILES notation for (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The canonical SMILES for (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione is C=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@@H]2C(=O)OC(=O)[C@@H]21.
What is the InChIKey of (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
The InChIKey is TTWBVWZUYQCQBB-PCUKCJQYSA-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/b7-6+/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione?
(1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-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 (1R,3S,3aR,6aS)-1-ethenyl-3-[(E)-3-trimethylsilylprop-1-enyl]-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione is sourced from PubChem (CID 177483303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).