methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate

C25H40O3Si — CID 11047999

IUPACmethyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H40O3Si/c1-25(2,3)29(5,6)28-15-17-12-19(17)21-14-23(21)22-13-20(22)18-11-16(18)9-7-8-10-24(26)27-4/h7-10,16-23H,11-15H2,1-6H3/b9-7+,10-8+/t16-,17+,18-,19-,20+,21+,22-,23-/m1/s1
InChIKeyPVTYISMBIHMEIS-IWJZMMHJSA-N
MW416.68 g/mol
LogP5.84
Rot. Bonds9

About methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate

methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate (PubChem CID 11047999) has the molecular formula C25H40O3Si and a molecular weight of 416.68 g/mol. Its IUPAC name is methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate
PubChem CID11047999
Molecular FormulaC25H40O3Si
Molecular Weight416.68 g/mol
Exact Mass416.27
IUPAC Namemethyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H40O3Si/c1-25(2,3)29(5,6)28-15-17-12-19(17)21-14-23(21)22-13-20(22)18-11-16(18)9-7-8-10-24(26)27-4/h7-10,16-23H,11-15H2,1-6H3/b9-7+,10-8+/t16-,17+,18-,19-,20+,21+,22-,23-/m1/s1
InChIKeyPVTYISMBIHMEIS-IWJZMMHJSA-N
XLogP5.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 55.84
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate with MolForge

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Related Compounds

ethyl 5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienoate
CID 54468465
tert-butyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]aziridine-1-carboxylate
CID 52951538
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
tert-butyl-[[(1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methoxy]-dimethylsilane
CID 102183768
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
ethyl (E)-3-[(1S,2R)-2-[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]-1-methylcyclopropyl]-2-methylprop-2-enoate
CID 10991794
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
(3aR,4S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58182336
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
dimethyl octa-2,4,6-trienedioate
CID 5250542

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate (CID 11047999) is methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate is COC(=O)/C=C/C=C/[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1[C@@H]1C[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate?
The InChIKey is PVTYISMBIHMEIS-IWJZMMHJSA-N. The full InChI is InChI=1S/C25H40O3Si/c1-25(2,3)29(5,6)28-15-17-12-19(17)21-14-23(21)22-13-20(22)18-11-16(18)9-7-8-10-24(26)27-4/h7-10,16-23H,11-15H2,1-6H3/b9-7+,10-8+/t16-,17+,18-,19-,20+,21+,22-,23-/m1/s1.
What are the key properties of methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate?
methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate has a molecular weight of 416.68 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-5-[(1S,2R)-2-[(1R,2R)-2-[(1R,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]cyclopropyl]cyclopropyl]cyclopropyl]penta-2,4-dienoate is sourced from PubChem (CID 11047999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).