ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate

C15H30O2Si — CID 72761153

IUPACethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)CC(C)CCC=C(C)C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-17-15(16)11-13(2)9-8-10-14(3)12-18(4,5)6/h10,13H,7-9,11-12H2,1-6H3
InChIKeyKRNVNWDYOJDANN-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.64
Rot. Bonds8

About ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate

ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate (PubChem CID 72761153) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate.

Molecular Properties

Compound Nameethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
PubChem CID72761153
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nameethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)CC(C)CCC=C(C)C[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-17-15(16)11-13(2)9-8-10-14(3)12-18(4,5)6/h10,13H,7-9,11-12H2,1-6H3
InChIKeyKRNVNWDYOJDANN-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.64
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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Frequently Asked Questions

What is the IUPAC name of ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate?
The IUPAC name of ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate (CID 72761153) is ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate.
What is the SMILES notation for ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate?
The canonical SMILES for ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate is CCOC(=O)CC(C)CCC=C(C)C[Si](C)(C)C.
What is the InChIKey of ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate?
The InChIKey is KRNVNWDYOJDANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-17-15(16)11-13(2)9-8-10-14(3)12-18(4,5)6/h10,13H,7-9,11-12H2,1-6H3.
What are the key properties of ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate?
ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate has a molecular weight of 270.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate is sourced from PubChem (CID 72761153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).