triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate

C18H32O6Si — CID 10317194

IUPACtriethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C18H32O6Si/c1-7-22-16(19)14(13-25(4,5)6)11-10-12-15(17(20)23-8-2)18(21)24-9-3/h13,15H,7-12H2,1-6H3/b14-13+
InChIKeyGXVJIQPROPEJKW-BUHFOSPRSA-N
MW372.53 g/mol
LogP3.27
Rot. Bonds11

About triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate

triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate (PubChem CID 10317194) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate.

Molecular Properties

Compound Nametriethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate
PubChem CID10317194
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Nametriethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C18H32O6Si/c1-7-22-16(19)14(13-25(4,5)6)11-10-12-15(17(20)23-8-2)18(21)24-9-3/h13,15H,7-12H2,1-6H3/b14-13+
InChIKeyGXVJIQPROPEJKW-BUHFOSPRSA-N
XLogP3.27
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
Ethyl (z)-2-(tetrahydro-2h-pyran-2-yl)-3-(triisopropylsilyl)acrylate
CID 138983944
diethyl (2E,7E)-2,7-bis(trimethylsilylmethylidene)octanedioate
CID 10431005
Diethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylideneheptyl]propanedioate
CID 19904720
triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate
CID 10926437
methyl (6S)-3-acetyloxy-6-methyl-2-methylidene-8-tri(propan-2-yl)silyloxyoctanoate
CID 10938588
ethyl (2E)-2-(trimethylsilylmethylidene)decanoate
CID 10968059
diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate
CID 11198669
Diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate
CID 14940681
Diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate
CID 14940682
Diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate
CID 14940683
diethyl 2-[(E)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate
CID 21580349

Frequently Asked Questions

What is the IUPAC name of triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate?
The IUPAC name of triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate (CID 10317194) is triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate.
What is the SMILES notation for triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate?
The canonical SMILES for triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate is CCOC(=O)/C(=C/[Si](C)(C)C)CCCC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate?
The InChIKey is GXVJIQPROPEJKW-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-7-22-16(19)14(13-25(4,5)6)11-10-12-15(17(20)23-8-2)18(21)24-9-3/h13,15H,7-12H2,1-6H3/b14-13+.
What are the key properties of triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate?
triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate has a molecular weight of 372.53 g/mol, XLogP of 3.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate is sourced from PubChem (CID 10317194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).