methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate

C19H34O4Si — CID 139690358

IUPACmethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate
SMILESCC[C@H](C[C@@H](CC1=CCCC1=O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O4Si/c1-8-16(23-24(6,7)19(2,3)4)13-15(18(21)22-5)12-14-10-9-11-17(14)20/h10,15-16H,8-9,11-13H2,1-7H3/t15-,16-/m1/s1
InChIKeyQATPWSVVNXISPT-HZPDHXFCSA-N
MW354.56 g/mol
LogP4.65
Rot. Bonds8

About methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate

methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate (PubChem CID 139690358) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate
PubChem CID139690358
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate
SMILESCC[C@H](C[C@@H](CC1=CCCC1=O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34O4Si/c1-8-16(23-24(6,7)19(2,3)4)13-15(18(21)22-5)12-14-10-9-11-17(14)20/h10,15-16H,8-9,11-13H2,1-7H3/t15-,16-/m1/s1
InChIKeyQATPWSVVNXISPT-HZPDHXFCSA-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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Related Compounds

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
methyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-3-oxoheptanoate
CID 102095887
ethyl (1Z,3Z,5Z)-2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-methoxyanilino)methylidene]-5-methyl-4-oxocycloocta-1,5-diene-1-carboxylate
CID 15981719
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,4,5-trifluorophenyl)butanoate
CID 175036286
3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
CID 123455813
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
dimethyl 2-[(2S,4S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylhexyl]propanedioate
CID 11235051

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
The IUPAC name of methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate (CID 139690358) is methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate.
What is the SMILES notation for methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
The canonical SMILES for methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate is CC[C@H](C[C@@H](CC1=CCCC1=O)C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
The InChIKey is QATPWSVVNXISPT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-8-16(23-24(6,7)19(2,3)4)13-15(18(21)22-5)12-14-10-9-11-17(14)20/h10,15-16H,8-9,11-13H2,1-7H3/t15-,16-/m1/s1.
What are the key properties of methyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate?
methyl (2R,4R)-4-[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,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(5-oxocyclopenten-1-yl)methyl]hexanoate is sourced from PubChem (CID 139690358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).