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

C19H34O4Si — CID 139690349

IUPACmethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC1=CCCC1=O)C(=O)OC
InChIInChI=1S/C19H34O4Si/c1-8-10-17(23-24(6,7)19(2,3)4)15(18(21)22-5)13-14-11-9-12-16(14)20/h11,15,17H,8-10,12-13H2,1-7H3/t15-,17-/m1/s1
InChIKeyRRSIRPKPXQOVKQ-NVXWUHKLSA-N
MW354.56 g/mol
LogP4.65
Rot. Bonds8

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

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate (PubChem CID 139690349) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate
PubChem CID139690349
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate
SMILESCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC1=CCCC1=O)C(=O)OC
InChIInChI=1S/C19H34O4Si/c1-8-10-17(23-24(6,7)19(2,3)4)15(18(21)22-5)13-14-11-9-12-16(14)20/h11,15,17H,8-10,12-13H2,1-7H3/t15-,17-/m1/s1
InChIKeyRRSIRPKPXQOVKQ-NVXWUHKLSA-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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
The IUPAC name of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate (CID 139690349) is methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate.
What is the SMILES notation for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
The canonical SMILES for methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate is CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC1=CCCC1=O)C(=O)OC.
What is the InChIKey of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
The InChIKey is RRSIRPKPXQOVKQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-8-10-17(23-24(6,7)19(2,3)4)15(18(21)22-5)13-14-11-9-12-16(14)20/h11,15,17H,8-10,12-13H2,1-7H3/t15-,17-/m1/s1.
What are the key properties of methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate 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 (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate is sourced from PubChem (CID 139690349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).