methyl (E)-5-trimethylsilylpent-2-en-4-ynoate

C9H14O2Si — CID 12842677

IUPACmethyl (E)-5-trimethylsilylpent-2-en-4-ynoate
SMILESCOC(=O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C9H14O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5,7H,1-4H3/b7-5+
InChIKeyDUZDYTKABKPVNB-FNORWQNLSA-N
MW182.29 g/mol
LogP1.60
Rot. Bonds1

About methyl (E)-5-trimethylsilylpent-2-en-4-ynoate

methyl (E)-5-trimethylsilylpent-2-en-4-ynoate (PubChem CID 12842677) has the molecular formula C9H14O2Si and a molecular weight of 182.29 g/mol. Its IUPAC name is methyl (E)-5-trimethylsilylpent-2-en-4-ynoate.

Molecular Properties

Compound Namemethyl (E)-5-trimethylsilylpent-2-en-4-ynoate
PubChem CID12842677
Molecular FormulaC9H14O2Si
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Namemethyl (E)-5-trimethylsilylpent-2-en-4-ynoate
SMILESCOC(=O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C9H14O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5,7H,1-4H3/b7-5+
InChIKeyDUZDYTKABKPVNB-FNORWQNLSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

trans-Dehydromatricaria ester
CID 5281146
2-Decene-4,6,8-triynoic acid, methyl ester, (Z)-
CID 5281309
Lachnophyllum Ester
CID 642290
(2Z,8Z)-Matricaria Acid Methyl Ester
CID 5319306
(E,Z)-Marticaria ester
CID 6443002
2-Decene-4,6-diynoic acid, methyl ester, (Z)-
CID 643924
2(E),8(E)-Matricaria ester
CID 5319573
methyl (2Z,8E)-deca-2,8-dien-4,6-diynoate
CID 91753646
Methyl-dec-2-en-4,6-diynoate
CID 96905
dimethyl (2E,8E)-deca-2,8-dien-4,6-diynedioate
CID 15851507
Methyl 2-decene-4,6,8-triynoate
CID 75958
Methyl 2,8-decadiene-4,6-diynoate
CID 185530

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-trimethylsilylpent-2-en-4-ynoate?
The IUPAC name of methyl (E)-5-trimethylsilylpent-2-en-4-ynoate (CID 12842677) is methyl (E)-5-trimethylsilylpent-2-en-4-ynoate.
What is the SMILES notation for methyl (E)-5-trimethylsilylpent-2-en-4-ynoate?
The canonical SMILES for methyl (E)-5-trimethylsilylpent-2-en-4-ynoate is COC(=O)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of methyl (E)-5-trimethylsilylpent-2-en-4-ynoate?
The InChIKey is DUZDYTKABKPVNB-FNORWQNLSA-N. The full InChI is InChI=1S/C9H14O2Si/c1-11-9(10)7-5-6-8-12(2,3)4/h5,7H,1-4H3/b7-5+.
What are the key properties of methyl (E)-5-trimethylsilylpent-2-en-4-ynoate?
methyl (E)-5-trimethylsilylpent-2-en-4-ynoate has a molecular weight of 182.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-trimethylsilylpent-2-en-4-ynoate is sourced from PubChem (CID 12842677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).