methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate

C19H32O4Si — CID 101270915

IUPACmethyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1CCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCOC1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)24(5,6)23-19(16-11-13-22-14-16)12-7-8-15(19)9-10-17(20)21-4/h9-11,15H,7-8,12-14H2,1-6H3/b10-9+/t15-,19+/m1/s1
InChIKeyUJULWNUNTJDEPL-PMYSDTAASA-N
MW352.55 g/mol
LogP4.23
Rot. Bonds5

About methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate

methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate (PubChem CID 101270915) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate
PubChem CID101270915
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namemethyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1CCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCOC1
InChIInChI=1S/C19H32O4Si/c1-18(2,3)24(5,6)23-19(16-11-13-22-14-16)12-7-8-15(19)9-10-17(20)21-4/h9-11,15H,7-8,12-14H2,1-6H3/b10-9+/t15-,19+/m1/s1
InChIKeyUJULWNUNTJDEPL-PMYSDTAASA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E,4R)-4-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]-4-tri(propan-2-yl)silyloxybut-2-enoate
CID 53362986
ethyl (E,4R)-4-[(1R,2S)-2-[(E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]cyclopentyl]-4-tri(propan-2-yl)silyloxybut-2-enoate
CID 135017968
methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate
CID 135018272
ethyl 5-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]penta-2,4-dienoate
CID 53645571
[(3aS,5R,6S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methyl acetate
CID 53674672
ethyl (2Z)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
CID 58557275
ethyl 2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylcyclopentylidene]acetate
CID 67216895
ethyl (2E)-2-[(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
CID 67998513
ethyl 2-((3S,4R)-3-((tert-butyldimethylsilyloxy)methyl)-4-ethylcyclopentylidene)acetate
CID 67998516
[(3aS,5R,6S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]methyl acetate
CID 70410095
(3E,8aR,9R,10R,11aS)-10-[tert-butyl(dimethyl)silyl]oxy-9-[(E,3R,5S)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-5-methylnon-1-enyl]-6,7,8,8a,9,10,11,11a-octahydro-5H-cyclopenta[b]oxecin-2-one
CID 70806005
Ethyl 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentylidene]acetate
CID 76828956

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate (CID 101270915) is methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate is COC(=O)/C=C/[C@H]1CCC[C@@]1(O[Si](C)(C)C(C)(C)C)C1=CCOC1.
What is the InChIKey of methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate?
The InChIKey is UJULWNUNTJDEPL-PMYSDTAASA-N. The full InChI is InChI=1S/C19H32O4Si/c1-18(2,3)24(5,6)23-19(16-11-13-22-14-16)12-7-8-15(19)9-10-17(20)21-4/h9-11,15H,7-8,12-14H2,1-6H3/b10-9+/t15-,19+/m1/s1.
What are the key properties of methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate?
methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate has a molecular weight of 352.55 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2,5-dihydrofuran-3-yl)cyclopentyl]prop-2-enoate is sourced from PubChem (CID 101270915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).