methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate

C30H40O3Si — CID 67796297

IUPACmethyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1=CCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40O3Si/c1-30(2,3)34(27-19-10-7-11-20-27,28-21-12-8-13-22-28)33-24-26-18-15-17-25(26)16-9-5-6-14-23-29(31)32-4/h5,7-13,17,19-22,26H,6,14-16,18,23-24H2,1-4H3/b9-5-/t26-/m1/s1
InChIKeyTVQJIRVMETXUDZ-MMUQKUGYSA-N
MW476.73 g/mol
LogP6.19
Rot. Bonds11

About methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate

methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate (PubChem CID 67796297) has the molecular formula C30H40O3Si and a molecular weight of 476.73 g/mol. Its IUPAC name is methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate
PubChem CID67796297
Molecular FormulaC30H40O3Si
Molecular Weight476.73 g/mol
Exact Mass476.27
IUPAC Namemethyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1=CCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40O3Si/c1-30(2,3)34(27-19-10-7-11-20-27,28-21-12-8-13-22-28)33-24-26-18-15-17-25(26)16-9-5-6-14-23-29(31)32-4/h5,7-13,17,19-22,26H,6,14-16,18,23-24H2,1-4H3/b9-5-/t26-/m1/s1
InChIKeyTVQJIRVMETXUDZ-MMUQKUGYSA-N
XLogP6.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.73
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-7-[(5S)-5-(bromomethyl)cyclopenten-1-yl]hept-5-enoate
CID 67797243
methyl (Z)-7-[(1S,2R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-phenylcyclopentyl]hept-5-enoate
CID 67796464
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
CID 101065949
methyl (Z)-7-[(1R,4S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenyl-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoate
CID 14674925
methyl (Z)-7-[(1R,2S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-fluorophenyl)-4-hydroxy-2-(hydroxymethyl)cyclopentyl]hept-5-enoate
CID 14675064
methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate
CID 15527217
[(1R,2S,3R,4R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(Z)-7-methoxy-7-oxohept-2-enyl]-4-(oxan-2-yloxy)cyclopentyl] benzoate
CID 67797043
methyl (5E,9E)-10-[3-[(E)-8-[tert-butyl(diphenyl)silyl]oxyoct-2-enyl]oxiran-2-yl]-8-hydroxydeca-5,9-dienoate
CID 100982637
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
methyl 12-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropoxy]dodecanoate
CID 10257143

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate?
The IUPAC name of methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate (CID 67796297) is methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate.
What is the SMILES notation for methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate?
The canonical SMILES for methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate is COC(=O)CCC/C=C\CC1=CCC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate?
The InChIKey is TVQJIRVMETXUDZ-MMUQKUGYSA-N. The full InChI is InChI=1S/C30H40O3Si/c1-30(2,3)34(27-19-10-7-11-20-27,28-21-12-8-13-22-28)33-24-26-18-15-17-25(26)16-9-5-6-14-23-29(31)32-4/h5,7-13,17,19-22,26H,6,14-16,18,23-24H2,1-4H3/b9-5-/t26-/m1/s1.
What are the key properties of methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate?
methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate has a molecular weight of 476.73 g/mol, XLogP of 6.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopenten-1-yl]hept-5-enoate is sourced from PubChem (CID 67796297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).