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'}

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

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Related Compounds

methyl (E,7E)-7-(triethylsilylmethylidene)undec-4-enoate
CID 11393179
methyl (Z)-3-methyl-2-trimethylsilyltridec-3-enoate
CID 71578822
methyl (3Z)-3-methyl-2-trimethylsilyltetradeca-3,13-dienoate
CID 102203795
Methyl 13-cyclopent-2-enyl-tridec-4-enoate
CID 129675270
methyl 7-[(1R,2S)-2-(4,7-dimethylocta-1,6-dienyl)cyclopentyl]-6-methylhept-5-enoate
CID 56637639
methyl 6-methyl-7-[(1R,2S)-2-oct-1-enylcyclopentyl]hept-5-enoate
CID 57236401
methyl 6-methyl-7-[(1R,2S)-2-(4-methyloct-1-enyl)cyclopentyl]hept-5-enoate
CID 154142431
methyl (Z)-7-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]cyclopentyl]hept-5-enoate
CID 11245988
methyl (Z)-7-[(1R,2R)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]cyclopentyl]hept-5-enoate
CID 101083436
methyl (Z)-7-[(1S,2S)-2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]cyclopentyl]hept-5-enoate
CID 101083437
methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate
CID 177398531
methyl (4E,7Z)-7-(cyclopentylmethyl)-8-trimethylsilylocta-4,7-dienoate
CID 177625642

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).