methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate

C20H34O3Si — CID 135018272

IUPACmethyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate
SMILESC=C1CC[C@@H]([C@@H](CC/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C20H34O3Si/c1-15-13-14-17(16(15)2)18(11-9-10-12-19(21)22-6)23-24(7,8)20(3,4)5/h10,12,17-18H,1-2,9,11,13-14H2,3-8H3/b12-10-/t17-,18-/m1/s1
InChIKeyWLGAAFPQEUWWBA-CIAVUECRSA-N
MW350.58 g/mol
LogP5.41
Rot. Bonds7

About methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate

methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate (PubChem CID 135018272) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate.

Molecular Properties

Compound Namemethyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate
PubChem CID135018272
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Namemethyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate
SMILESC=C1CC[C@@H]([C@@H](CC/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C)C1=C
InChIInChI=1S/C20H34O3Si/c1-15-13-14-17(16(15)2)18(11-9-10-12-19(21)22-6)23-24(7,8)20(3,4)5/h10,12,17-18H,1-2,9,11,13-14H2,3-8H3/b12-10-/t17-,18-/m1/s1
InChIKeyWLGAAFPQEUWWBA-CIAVUECRSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate with MolForge

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Related Compounds

ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
methyl (2E,4E,8E,10E,14S)-7-[tert-butyl(dimethyl)silyl]oxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
CID 10645825
(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
2-trimethylsilylethyl (2E,6E)-2-methyl-7-[(2S,3S)-3-[(2S)-2-methyl-4-trimethylstannylpent-4-enyl]oxiran-2-yl]hepta-2,6-dienoate
CID 11191739
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
methyl (2E,4E,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoate
CID 11729487
(2R)-2-[(E,1R,2S,4R)-2,4,6-trimethyl-1-trimethylsilyloxyoct-6-enyl]-2H-furan-5-one
CID 11954682
methyl (E)-3-[(6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohepten-1-yl]prop-2-enoate
CID 12162139
ethyl (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienoate
CID 24886407
methyl (E)-3-[(2R,3R)-3-[(3R,5Z,7E,9E)-3-methyl-11-trimethylsilylundeca-5,7,9-trienyl]oxiran-2-yl]prop-2-enoate
CID 44471285
methyl (Z,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-ethenylundec-2-en-10-ynoate
CID 53348233
ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
CID 101012135

Frequently Asked Questions

What is the IUPAC name of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate?
The IUPAC name of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate (CID 135018272) is methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate.
What is the SMILES notation for methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate?
The canonical SMILES for methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate is C=C1CC[C@@H]([C@@H](CC/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C)C1=C.
What is the InChIKey of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate?
The InChIKey is WLGAAFPQEUWWBA-CIAVUECRSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-15-13-14-17(16(15)2)18(11-9-10-12-19(21)22-6)23-24(7,8)20(3,4)5/h10,12,17-18H,1-2,9,11,13-14H2,3-8H3/b12-10-/t17-,18-/m1/s1.
What are the key properties of methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate?
methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate has a molecular weight of 350.58 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(1R)-2,3-dimethylidenecyclopentyl]hex-2-enoate is sourced from PubChem (CID 135018272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).