methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate

C16H26O4Si — CID 11722945

IUPACmethyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate
SMILESC=CCCCC(O[Si](C)(C)C)C1=C(C(=O)OC)C(=O)CC1
InChIInChI=1S/C16H26O4Si/c1-6-7-8-9-14(20-21(3,4)5)12-10-11-13(17)15(12)16(18)19-2/h6,14H,1,7-11H2,2-5H3
InChIKeyPATOPLJPOACXGV-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.40
Rot. Bonds8

About methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate

methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate (PubChem CID 11722945) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate
PubChem CID11722945
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namemethyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate
SMILESC=CCCCC(O[Si](C)(C)C)C1=C(C(=O)OC)C(=O)CC1
InChIInChI=1S/C16H26O4Si/c1-6-7-8-9-14(20-21(3,4)5)12-10-11-13(17)15(12)16(18)19-2/h6,14H,1,7-11H2,2-5H3
InChIKeyPATOPLJPOACXGV-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate (CID 11722945) is methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate is C=CCCCC(O[Si](C)(C)C)C1=C(C(=O)OC)C(=O)CC1.
What is the InChIKey of methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate?
The InChIKey is PATOPLJPOACXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-6-7-8-9-14(20-21(3,4)5)12-10-11-13(17)15(12)16(18)19-2/h6,14H,1,7-11H2,2-5H3.
What are the key properties of methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate?
methyl 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate 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 5-oxo-2-(1-trimethylsilyloxyhex-5-enyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 11722945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).