trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate

C18H34O4Si2 — CID 12801790

IUPACtrimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate
SMILESC[Si](C)(C)OC(=O)CCCCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C18H34O4Si2/c1-23(2,3)21-16-13-15(17(19)14-16)11-9-7-8-10-12-18(20)22-24(4,5)6/h13,16H,7-12,14H2,1-6H3
InChIKeyGWWGVDRSEPWLSQ-UHFFFAOYSA-N
MW370.64 g/mol
LogP4.82
Rot. Bonds10

About trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate

trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate (PubChem CID 12801790) has the molecular formula C18H34O4Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate.

Molecular Properties

Compound Nametrimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate
PubChem CID12801790
Molecular FormulaC18H34O4Si2
Molecular Weight370.64 g/mol
Exact Mass370.20
IUPAC Nametrimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate
SMILESC[Si](C)(C)OC(=O)CCCCCCC1=CC(O[Si](C)(C)C)CC1=O
InChIInChI=1S/C18H34O4Si2/c1-23(2,3)21-16-13-15(17(19)14-16)11-9-7-8-10-12-18(20)22-24(4,5)6/h13,16H,7-12,14H2,1-6H3
InChIKeyGWWGVDRSEPWLSQ-UHFFFAOYSA-N
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 54.82
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 trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate?
The IUPAC name of trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate (CID 12801790) is trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate.
What is the SMILES notation for trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate?
The canonical SMILES for trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate is C[Si](C)(C)OC(=O)CCCCCCC1=CC(O[Si](C)(C)C)CC1=O.
What is the InChIKey of trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate?
The InChIKey is GWWGVDRSEPWLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si2/c1-23(2,3)21-16-13-15(17(19)14-16)11-9-7-8-10-12-18(20)22-24(4,5)6/h13,16H,7-12,14H2,1-6H3.
What are the key properties of trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate?
trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate has a molecular weight of 370.64 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)heptanoate is sourced from PubChem (CID 12801790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).