methyl (E)-3-trimethylsilyloxyhept-3-enoate

C11H22O3Si — CID 135079958

IUPACmethyl (E)-3-trimethylsilyloxyhept-3-enoate
SMILESCCC/C=C(\CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-7-8-10(9-11(12)13-2)14-15(3,4)5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyAUMIHZKVVYHCNK-CSKARUKUSA-N
MW230.38 g/mol
LogP3.09
Rot. Bonds6

About methyl (E)-3-trimethylsilyloxyhept-3-enoate

methyl (E)-3-trimethylsilyloxyhept-3-enoate (PubChem CID 135079958) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl (E)-3-trimethylsilyloxyhept-3-enoate.

Molecular Properties

Compound Namemethyl (E)-3-trimethylsilyloxyhept-3-enoate
PubChem CID135079958
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namemethyl (E)-3-trimethylsilyloxyhept-3-enoate
SMILESCCC/C=C(\CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-6-7-8-10(9-11(12)13-2)14-15(3,4)5/h8H,6-7,9H2,1-5H3/b10-8+
InChIKeyAUMIHZKVVYHCNK-CSKARUKUSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (E)-3-trimethylsilyloxyhept-3-enoate 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 methyl (E)-3-trimethylsilyloxyhept-3-enoate?
The IUPAC name of methyl (E)-3-trimethylsilyloxyhept-3-enoate (CID 135079958) is methyl (E)-3-trimethylsilyloxyhept-3-enoate.
What is the SMILES notation for methyl (E)-3-trimethylsilyloxyhept-3-enoate?
The canonical SMILES for methyl (E)-3-trimethylsilyloxyhept-3-enoate is CCC/C=C(\CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-3-trimethylsilyloxyhept-3-enoate?
The InChIKey is AUMIHZKVVYHCNK-CSKARUKUSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-6-7-8-10(9-11(12)13-2)14-15(3,4)5/h8H,6-7,9H2,1-5H3/b10-8+.
What are the key properties of methyl (E)-3-trimethylsilyloxyhept-3-enoate?
methyl (E)-3-trimethylsilyloxyhept-3-enoate has a molecular weight of 230.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-trimethylsilyloxyhept-3-enoate is sourced from PubChem (CID 135079958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).