methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate

C19H34O4Si — CID 99773975

IUPACmethyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate
SMILESCC[Si](CC)(CC)O[C@@H]1C=C(CCCCCCC(=O)OC)C(=O)C1
InChIInChI=1S/C19H34O4Si/c1-5-24(6-2,7-3)23-17-14-16(18(20)15-17)12-10-8-9-11-13-19(21)22-4/h14,17H,5-13,15H2,1-4H3/t17-/m1/s1
InChIKeyCVUYUBZMSCEMFT-QGZVFWFLSA-N
MW354.56 g/mol
LogP4.79
Rot. Bonds12

About methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate

methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate (PubChem CID 99773975) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate
PubChem CID99773975
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate
SMILESCC[Si](CC)(CC)O[C@@H]1C=C(CCCCCCC(=O)OC)C(=O)C1
InChIInChI=1S/C19H34O4Si/c1-5-24(6-2,7-3)23-17-14-16(18(20)15-17)12-10-8-9-11-13-19(21)22-4/h14,17H,5-13,15H2,1-4H3/t17-/m1/s1
InChIKeyCVUYUBZMSCEMFT-QGZVFWFLSA-N
XLogP4.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.79
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate?
The IUPAC name of methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate (CID 99773975) is methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate.
What is the SMILES notation for methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate?
The canonical SMILES for methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate is CC[Si](CC)(CC)O[C@@H]1C=C(CCCCCCC(=O)OC)C(=O)C1.
What is the InChIKey of methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate?
The InChIKey is CVUYUBZMSCEMFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-5-24(6-2,7-3)23-17-14-16(18(20)15-17)12-10-8-9-11-13-19(21)22-4/h14,17H,5-13,15H2,1-4H3/t17-/m1/s1.
What are the key properties of methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate?
methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate has a molecular weight of 354.56 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(3S)-5-oxo-3-triethylsilyloxycyclopenten-1-yl]heptanoate is sourced from PubChem (CID 99773975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).