ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate

C15H24O4Si — CID 146161886

IUPACethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate
SMILESCCOC(=O)/C(C)=C/C[C@H](C#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C15H24O4Si/c1-7-18-15(17)12(2)8-9-14(19-13(3)16)10-11-20(4,5)6/h8,14H,7,9H2,1-6H3/b12-8+/t14-/m1/s1
InChIKeyUIIZCQHNLOIGCP-CEFACKQISA-N
MW296.44 g/mol
LogP2.70
Rot. Bonds5

About ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate

ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate (PubChem CID 146161886) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate.

Molecular Properties

Compound Nameethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate
PubChem CID146161886
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Nameethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate
SMILESCCOC(=O)/C(C)=C/C[C@H](C#C[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C15H24O4Si/c1-7-18-15(17)12(2)8-9-14(19-13(3)16)10-11-20(4,5)6/h8,14H,7,9H2,1-6H3/b12-8+/t14-/m1/s1
InChIKeyUIIZCQHNLOIGCP-CEFACKQISA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate?
The IUPAC name of ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate (CID 146161886) is ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate.
What is the SMILES notation for ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate?
The canonical SMILES for ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate is CCOC(=O)/C(C)=C/C[C@H](C#C[Si](C)(C)C)OC(C)=O.
What is the InChIKey of ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate?
The InChIKey is UIIZCQHNLOIGCP-CEFACKQISA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-18-15(17)12(2)8-9-14(19-13(3)16)10-11-20(4,5)6/h8,14H,7,9H2,1-6H3/b12-8+/t14-/m1/s1.
What are the key properties of ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate?
ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate has a molecular weight of 296.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5R)-5-acetyloxy-2-methyl-7-trimethylsilylhept-2-en-6-ynoate is sourced from PubChem (CID 146161886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).