ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate

C27H36O3Si — CID 11453388

IUPACethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)[C@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O3Si/c1-6-29-26(28)18-17-21(2)25-19-22(25)20-30-31(27(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-18,21-22,25H,6,19-20H2,1-5H3/b18-17+/t21-,22-,25+/m0/s1
InChIKeyIVLZAQOEHNMWGD-UKMBGMJCSA-N
MW436.67 g/mol
LogP4.95
Rot. Bonds9

About ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate

ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate (PubChem CID 11453388) has the molecular formula C27H36O3Si and a molecular weight of 436.67 g/mol. Its IUPAC name is ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate
PubChem CID11453388
Molecular FormulaC27H36O3Si
Molecular Weight436.67 g/mol
Exact Mass436.24
IUPAC Nameethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C)[C@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H36O3Si/c1-6-29-26(28)18-17-21(2)25-19-22(25)20-30-31(27(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-18,21-22,25H,6,19-20H2,1-5H3/b18-17+/t21-,22-,25+/m0/s1
InChIKeyIVLZAQOEHNMWGD-UKMBGMJCSA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.67
LogP ≤ 54.95
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
The IUPAC name of ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate (CID 11453388) is ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate.
What is the SMILES notation for ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
The canonical SMILES for ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate is CCOC(=O)/C=C/[C@H](C)[C@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
The InChIKey is IVLZAQOEHNMWGD-UKMBGMJCSA-N. The full InChI is InChI=1S/C27H36O3Si/c1-6-29-26(28)18-17-21(2)25-19-22(25)20-30-31(27(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-18,21-22,25H,6,19-20H2,1-5H3/b18-17+/t21-,22-,25+/m0/s1.
What are the key properties of ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate?
ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate has a molecular weight of 436.67 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-4-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]pent-2-enoate is sourced from PubChem (CID 11453388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).