diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate

C18H34O4Si — CID 11198669

IUPACdiethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate
SMILESCCOC(=O)C(CCCC/C=C(/C)C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C18H34O4Si/c1-7-21-17(19)16(18(20)22-8-2)13-11-9-10-12-15(3)14-23(4,5)6/h12,16H,7-11,13-14H2,1-6H3/b15-12-
InChIKeyGOPLNCKEHIENIS-QINSGFPZSA-N
MW342.55 g/mol
LogP4.57
Rot. Bonds11

About diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate

diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate (PubChem CID 11198669) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate
PubChem CID11198669
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Namediethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate
SMILESCCOC(=O)C(CCCC/C=C(/C)C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C18H34O4Si/c1-7-21-17(19)16(18(20)22-8-2)13-11-9-10-12-15(3)14-23(4,5)6/h12,16H,7-11,13-14H2,1-6H3/b15-12-
InChIKeyGOPLNCKEHIENIS-QINSGFPZSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate?
The IUPAC name of diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate (CID 11198669) is diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate?
The canonical SMILES for diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate is CCOC(=O)C(CCCC/C=C(/C)C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate?
The InChIKey is GOPLNCKEHIENIS-QINSGFPZSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-7-21-17(19)16(18(20)22-8-2)13-11-9-10-12-15(3)14-23(4,5)6/h12,16H,7-11,13-14H2,1-6H3/b15-12-.
What are the key properties of diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate?
diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate has a molecular weight of 342.55 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(Z)-6-methyl-7-trimethylsilylhept-5-enyl]propanedioate is sourced from PubChem (CID 11198669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).