methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate

C16H28O4Si — CID 13066588

IUPACmethyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate
SMILESCOC(=O)CCCCCCC1=C[C@H](O[Si](C)(C)C)CC1=O
InChIInChI=1S/C16H28O4Si/c1-19-16(18)10-8-6-5-7-9-13-11-14(12-15(13)17)20-21(2,3)4/h11,14H,5-10,12H2,1-4H3/t14-/m0/s1
InChIKeyBXGVQLWAVNZJOX-AWEZNQCLSA-N
MW312.48 g/mol
LogP3.62
Rot. Bonds9

About methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate

methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate (PubChem CID 13066588) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate
PubChem CID13066588
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namemethyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate
SMILESCOC(=O)CCCCCCC1=C[C@H](O[Si](C)(C)C)CC1=O
InChIInChI=1S/C16H28O4Si/c1-19-16(18)10-8-6-5-7-9-13-11-14(12-15(13)17)20-21(2,3)4/h11,14H,5-10,12H2,1-4H3/t14-/m0/s1
InChIKeyBXGVQLWAVNZJOX-AWEZNQCLSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.62
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-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate?
The IUPAC name of methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate (CID 13066588) is methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate.
What is the SMILES notation for methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate?
The canonical SMILES for methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate is COC(=O)CCCCCCC1=C[C@H](O[Si](C)(C)C)CC1=O.
What is the InChIKey of methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate?
The InChIKey is BXGVQLWAVNZJOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-19-16(18)10-8-6-5-7-9-13-11-14(12-15(13)17)20-21(2,3)4/h11,14H,5-10,12H2,1-4H3/t14-/m0/s1.
What are the key properties of methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate?
methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate has a molecular weight of 312.48 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(3R)-5-oxo-3-trimethylsilyloxycyclopenten-1-yl]heptanoate is sourced from PubChem (CID 13066588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).