4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

C12H18O5Si — CID 3559895

IUPAC4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SMILESCOC1C=C(O[Si](C)(C)C)CC2C(=O)OC(=O)C12
InChIInChI=1S/C12H18O5Si/c1-15-9-6-7(17-18(2,3)4)5-8-10(9)12(14)16-11(8)13/h6,8-10H,5H2,1-4H3
InChIKeyNSWHLWBPOOMWQS-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.46
Rot. Bonds3

About 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (PubChem CID 3559895) has the molecular formula C12H18O5Si and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
PubChem CID3559895
Molecular FormulaC12H18O5Si
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SMILESCOC1C=C(O[Si](C)(C)C)CC2C(=O)OC(=O)C12
InChIInChI=1S/C12H18O5Si/c1-15-9-6-7(17-18(2,3)4)5-8-10(9)12(14)16-11(8)13/h6,8-10H,5H2,1-4H3
InChIKeyNSWHLWBPOOMWQS-UHFFFAOYSA-N
XLogP1.46
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 14712062
(3R,3aS,7R,7aS)-3-methyl-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 101603758
methyl (1R,2S,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134889410
methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134900767
methyl (3S,3aR,7R,7aR)-7-methoxy-3-methyl-1-oxo-3a,4,7,7a-tetrahydro-3H-2-benzofuran-4-carboxylate
CID 134979333
2-O-ethyl 1-O-methyl 1-O'-propan-2-yl (1R,2S)-4-trimethylsilyloxycyclohex-4-ene-1,1,2-tricarboxylate
CID 134979345
2-O-ethyl 1-O-methyl 1-O'-propan-2-yl (1R,2S)-5-trimethylsilyloxycyclohex-4-ene-1,1,2-tricarboxylate
CID 134979456
(3S,3aR,7R,7aS)-3,7-dimethyl-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134979638
methyl (3S,3aS,7R,7aS)-3,7-dimethyl-1-oxo-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-4-carboxylate
CID 134979639
methyl (3S,3aS,7aS)-3-methyl-1-oxo-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-4-carboxylate
CID 134979916
methyl (3S,3aR,7R,7aR)-3-methyl-1-oxo-7-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-4-carboxylate
CID 134980021
(3S,3aR,7R,7aR)-7-methoxy-3-methyl-5-trimethylsilyloxy-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one
CID 134980126

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The IUPAC name of 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione (CID 3559895) is 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
What is the SMILES notation for 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The canonical SMILES for 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is COC1C=C(O[Si](C)(C)C)CC2C(=O)OC(=O)C12.
What is the InChIKey of 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
The InChIKey is NSWHLWBPOOMWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5Si/c1-15-9-6-7(17-18(2,3)4)5-8-10(9)12(14)16-11(8)13/h6,8-10H,5H2,1-4H3.
What are the key properties of 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione?
4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione has a molecular weight of 270.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-trimethylsilyloxy-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione is sourced from PubChem (CID 3559895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).