methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate

C16H26O4Si — CID 13055680

IUPACmethyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate
SMILESCOC(=O)/C=C/CCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C16H26O4Si/c1-19-16(18)10-8-6-5-7-9-13-11-14(12-15(13)17)20-21(2,3)4/h8,10-11,14H,5-7,9,12H2,1-4H3/b10-8+
InChIKeyXVPXNNGZKAPHQP-CSKARUKUSA-N
MW310.47 g/mol
LogP3.40
Rot. Bonds8

About methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate

methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate (PubChem CID 13055680) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate
PubChem CID13055680
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namemethyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate
SMILESCOC(=O)/C=C/CCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C16H26O4Si/c1-19-16(18)10-8-6-5-7-9-13-11-14(12-15(13)17)20-21(2,3)4/h8,10-11,14H,5-7,9,12H2,1-4H3/b10-8+
InChIKeyXVPXNNGZKAPHQP-CSKARUKUSA-N
XLogP3.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.40
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 10801599
15Z-Insignoic acid E
CID 171117770
16Z-Insignoic acid E
CID 171117771
17Z-Insignoic acid E
CID 171117772
[(9S,10E,11aR)-9-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl]methyl acetate
CID 13895752
[(4S,10E,11aR)-4-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl]methyl acetate
CID 14137557
(4-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl)methyl acetate
CID 162968314
[(9R,10Z,11aR)-9-acetyloxy-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-3-yl]methyl acetate
CID 162998885
(R)-Methyl 7-(3-((tert-butyldimethylsilyl)oxy)-5-oxocyclopent-1-en-1-yl)heptanoate
CID 11024659
4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 21590554
Methyl 7-(5-oxo-3-((triethylsilyl)oxy)cyclopent-1-en-1-yl)heptanoate
CID 10991861
methyl (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]tetradec-2-enoate
CID 5468669

Frequently Asked Questions

What is the IUPAC name of methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate?
The IUPAC name of methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate (CID 13055680) is methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate.
What is the SMILES notation for methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate?
The canonical SMILES for methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate is COC(=O)/C=C/CCCCC1=CC(O[Si](C)(C)C)CC1=O.
What is the InChIKey of methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate?
The InChIKey is XVPXNNGZKAPHQP-CSKARUKUSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-19-16(18)10-8-6-5-7-9-13-11-14(12-15(13)17)20-21(2,3)4/h8,10-11,14H,5-7,9,12H2,1-4H3/b10-8+.
What are the key properties of methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate?
methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate has a molecular weight of 310.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate is sourced from PubChem (CID 13055680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).