ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate

C20H34O4Si — CID 13427683

IUPACethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate
SMILESCCOC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C20H34O4Si/c1-7-23-19(22)13-11-9-8-10-12-16-14-17(15-18(16)21)24-25(5,6)20(2,3)4/h8,10,14,17H,7,9,11-13,15H2,1-6H3/b10-8-/t17-/m0/s1
InChIKeyXOKFQDZKNDZXSA-PXAMLJHWSA-N
MW366.57 g/mol
LogP4.96
Rot. Bonds9

About ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate

ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate (PubChem CID 13427683) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate.

Molecular Properties

Compound Nameethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate
PubChem CID13427683
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Nameethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate
SMILESCCOC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C20H34O4Si/c1-7-23-19(22)13-11-9-8-10-12-16-14-17(15-18(16)21)24-25(5,6)20(2,3)4/h8,10,14,17H,7,9,11-13,15H2,1-6H3/b10-8-/t17-/m0/s1
InChIKeyXOKFQDZKNDZXSA-PXAMLJHWSA-N
XLogP4.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate with MolForge

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Related Compounds

(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
methyl (E)-2-(2-methyl-1-triethylsilyloxyprop-2-enyl)hexadec-2-enoate
CID 23729629
Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10991861
Prosta-5,8(12),13-trien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (5Z,13E,15S)-
CID 91697008
methyl (2E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11245607
methyl (2E,6R,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-5-oxodeca-2,8-dienoate
CID 11280117
methyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 14731773
methyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-oxoheptanoate
CID 10384421
(R)-Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10832001
ethyl (4E,6E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-oxododeca-4,6-dienoate
CID 57327645
methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate
CID 99773975
ethyl (2E)-4,8-dimethyl-7-oxo-4-triethylsilyloxynona-2,8-dienoate
CID 135020746

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate?
The IUPAC name of ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate (CID 13427683) is ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate.
What is the SMILES notation for ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate?
The canonical SMILES for ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate is CCOC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate?
The InChIKey is XOKFQDZKNDZXSA-PXAMLJHWSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-7-23-19(22)13-11-9-8-10-12-16-14-17(15-18(16)21)24-25(5,6)20(2,3)4/h8,10,14,17H,7,9,11-13,15H2,1-6H3/b10-8-/t17-/m0/s1.
What are the key properties of ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate?
ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate has a molecular weight of 366.57 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-5-enoate is sourced from PubChem (CID 13427683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).