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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).