methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate

C18H32O2Si — CID 11449703

IUPACmethyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate
SMILESCOC(=O)CC/C=C/C/C(=C/[Si](C)(C)C)CC1CCCC1
InChIInChI=1S/C18H32O2Si/c1-20-18(19)13-7-5-6-12-17(15-21(2,3)4)14-16-10-8-9-11-16/h5-6,15-16H,7-14H2,1-4H3/b6-5+,17-15-
InChIKeyYYTNKPULWNSFQX-PEJUDWPJSA-N
MW308.54 g/mol
LogP5.27
Rot. Bonds8

About methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate

methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate (PubChem CID 11449703) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate.

Molecular Properties

Compound Namemethyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate
PubChem CID11449703
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Namemethyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate
SMILESCOC(=O)CC/C=C/C/C(=C/[Si](C)(C)C)CC1CCCC1
InChIInChI=1S/C18H32O2Si/c1-20-18(19)13-7-5-6-12-17(15-21(2,3)4)14-16-10-8-9-11-16/h5-6,15-16H,7-14H2,1-4H3/b6-5+,17-15-
InChIKeyYYTNKPULWNSFQX-PEJUDWPJSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.27
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 methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate?
The IUPAC name of methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate (CID 11449703) is methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate.
What is the SMILES notation for methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate?
The canonical SMILES for methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate is COC(=O)CC/C=C/C/C(=C/[Si](C)(C)C)CC1CCCC1.
What is the InChIKey of methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate?
The InChIKey is YYTNKPULWNSFQX-PEJUDWPJSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-20-18(19)13-7-5-6-12-17(15-21(2,3)4)14-16-10-8-9-11-16/h5-6,15-16H,7-14H2,1-4H3/b6-5+,17-15-.
What are the key properties of methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate?
methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate has a molecular weight of 308.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E,7E)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate is sourced from PubChem (CID 11449703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).