methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate

C19H34O4Si — CID 19607077

IUPACmethyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate
SMILESCOC(=O)C(C)CCCCC1=C(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C19H34O4Si/c1-14(18(21)22-5)10-8-9-11-15-16(20)12-13-17(15)23-24(6,7)19(2,3)4/h14H,8-13H2,1-7H3
InChIKeyMFJJXQAIEGJEDI-UHFFFAOYSA-N
MW354.56 g/mol
LogP4.99
Rot. Bonds8

About methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate

methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate (PubChem CID 19607077) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate
PubChem CID19607077
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate
SMILESCOC(=O)C(C)CCCCC1=C(O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C19H34O4Si/c1-14(18(21)22-5)10-8-9-11-15-16(20)12-13-17(15)23-24(6,7)19(2,3)4/h14H,8-13H2,1-7H3
InChIKeyMFJJXQAIEGJEDI-UHFFFAOYSA-N
XLogP4.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.99
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 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
The IUPAC name of methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate (CID 19607077) is methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate.
What is the SMILES notation for methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
The canonical SMILES for methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate is COC(=O)C(C)CCCCC1=C(O[Si](C)(C)C(C)(C)C)CCC1=O.
What is the InChIKey of methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
The InChIKey is MFJJXQAIEGJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-14(18(21)22-5)10-8-9-11-15-16(20)12-13-17(15)23-24(6,7)19(2,3)4/h14H,8-13H2,1-7H3.
What are the key properties of methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate has a molecular weight of 354.56 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate is sourced from PubChem (CID 19607077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).