methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate

C19H34O4Si — CID 18647285

IUPACmethyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate
SMILESCOC(=O)C(C)CCCCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H34O4Si/c1-14(18(21)22-5)10-8-9-11-15-12-16(13-17(15)20)23-24(6,7)19(2,3)4/h12,14,16H,8-11,13H2,1-7H3/t14?,16-/m0/s1
InChIKeyDGPQPGNHRKHRJB-WMCAAGNKSA-N
MW354.56 g/mol
LogP4.65
Rot. Bonds8

About methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate

methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate (PubChem CID 18647285) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate
PubChem CID18647285
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate
SMILESCOC(=O)C(C)CCCCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C19H34O4Si/c1-14(18(21)22-5)10-8-9-11-15-12-16(13-17(15)20)23-24(6,7)19(2,3)4/h12,14,16H,8-11,13H2,1-7H3/t14?,16-/m0/s1
InChIKeyDGPQPGNHRKHRJB-WMCAAGNKSA-N
XLogP4.65
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 ≤ 54.65
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-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
The IUPAC name of methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate (CID 18647285) is methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate.
What is the SMILES notation for methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
The canonical SMILES for methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate is COC(=O)C(C)CCCCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
The InChIKey is DGPQPGNHRKHRJB-WMCAAGNKSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-14(18(21)22-5)10-8-9-11-15-12-16(13-17(15)20)23-24(6,7)19(2,3)4/h12,14,16H,8-11,13H2,1-7H3/t14?,16-/m0/s1.
What are the key properties of methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate?
methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate has a molecular weight of 354.56 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate is sourced from PubChem (CID 18647285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).