dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate

C17H29NO4Si — CID 101498917

IUPACdimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1=CN(CCC/C=C/C[Si](C)(C)C)CC1C(=O)OC
InChIInChI=1S/C17H29NO4Si/c1-21-16(19)14-12-18(13-15(14)17(20)22-2)10-8-6-7-9-11-23(3,4)5/h7,9,12,15H,6,8,10-11,13H2,1-5H3/b9-7+
InChIKeyDTCMZIBJFRXDAY-VQHVLOKHSA-N
MW339.51 g/mol
LogP2.82
Rot. Bonds8

About dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate

dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate (PubChem CID 101498917) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate
PubChem CID101498917
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC Namedimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate
SMILESCOC(=O)C1=CN(CCC/C=C/C[Si](C)(C)C)CC1C(=O)OC
InChIInChI=1S/C17H29NO4Si/c1-21-16(19)14-12-18(13-15(14)17(20)22-2)10-8-6-7-9-11-23(3,4)5/h7,9,12,15H,6,8,10-11,13H2,1-5H3/b9-7+
InChIKeyDTCMZIBJFRXDAY-VQHVLOKHSA-N
XLogP2.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.82
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate?
The IUPAC name of dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate (CID 101498917) is dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate is COC(=O)C1=CN(CCC/C=C/C[Si](C)(C)C)CC1C(=O)OC.
What is the InChIKey of dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate?
The InChIKey is DTCMZIBJFRXDAY-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H29NO4Si/c1-21-16(19)14-12-18(13-15(14)17(20)22-2)10-8-6-7-9-11-23(3,4)5/h7,9,12,15H,6,8,10-11,13H2,1-5H3/b9-7+.
What are the key properties of dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate?
dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate has a molecular weight of 339.51 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-[(E)-6-trimethylsilylhex-4-enyl]-2,3-dihydropyrrole-3,4-dicarboxylate is sourced from PubChem (CID 101498917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).