ethyl 6-methyl-2-trimethylsilylhept-5-enoate

C13H26O2Si — CID 543913

IUPACethyl 6-methyl-2-trimethylsilylhept-5-enoate
SMILESCCOC(=O)C(CCC=C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-15-13(14)12(16(4,5)6)10-8-9-11(2)3/h9,12H,7-8,10H2,1-6H3
InChIKeyYVTLQYNPCFFEQB-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.00
Rot. Bonds6

About ethyl 6-methyl-2-trimethylsilylhept-5-enoate

ethyl 6-methyl-2-trimethylsilylhept-5-enoate (PubChem CID 543913) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is ethyl 6-methyl-2-trimethylsilylhept-5-enoate.

Molecular Properties

Compound Nameethyl 6-methyl-2-trimethylsilylhept-5-enoate
PubChem CID543913
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nameethyl 6-methyl-2-trimethylsilylhept-5-enoate
SMILESCCOC(=O)C(CCC=C(C)C)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-15-13(14)12(16(4,5)6)10-8-9-11(2)3/h9,12H,7-8,10H2,1-6H3
InChIKeyYVTLQYNPCFFEQB-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 131668139
4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
ethyl (E)-4-methylhept-4-enoate
CID 15088869
5-Heptenoic acid, 6-methyl-, methyl ester
CID 557455
Ethyl 5,9-dimethylundeca-4,8-dienoate
CID 142391154
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
Ethyl (E)-4-methylhex-4-enoate
CID 10888151
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Ethyl 4-triethylsilylcyclohex-3-ene-1-carboxylate
CID 12448645
Ethyl 3-triethylsilylcyclohex-3-ene-1-carboxylate
CID 12448646
(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
CID 14190140
Methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate
CID 44597122

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-trimethylsilylhept-5-enoate?
The IUPAC name of ethyl 6-methyl-2-trimethylsilylhept-5-enoate (CID 543913) is ethyl 6-methyl-2-trimethylsilylhept-5-enoate.
What is the SMILES notation for ethyl 6-methyl-2-trimethylsilylhept-5-enoate?
The canonical SMILES for ethyl 6-methyl-2-trimethylsilylhept-5-enoate is CCOC(=O)C(CCC=C(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl 6-methyl-2-trimethylsilylhept-5-enoate?
The InChIKey is YVTLQYNPCFFEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-15-13(14)12(16(4,5)6)10-8-9-11(2)3/h9,12H,7-8,10H2,1-6H3.
What are the key properties of ethyl 6-methyl-2-trimethylsilylhept-5-enoate?
ethyl 6-methyl-2-trimethylsilylhept-5-enoate has a molecular weight of 242.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-trimethylsilylhept-5-enoate is sourced from PubChem (CID 543913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).