methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate

C22H28O3Si — CID 44550766

IUPACmethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
SMILESCOC(=O)/C=C/[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-18(16-17-21(23)24-5)25-26(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18H,1-5H3/b17-16+/t18-/m0/s1
InChIKeySNULUNKGELSQNY-GVJQPLCZSA-N
MW368.55 g/mol
LogP3.68
Rot. Bonds6

About methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate

methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate (PubChem CID 44550766) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate.

Molecular Properties

Compound Namemethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
PubChem CID44550766
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Namemethyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate
SMILESCOC(=O)/C=C/[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-18(16-17-21(23)24-5)25-26(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18H,1-5H3/b17-16+/t18-/m0/s1
InChIKeySNULUNKGELSQNY-GVJQPLCZSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.68
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 methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The IUPAC name of methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate (CID 44550766) is methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate.
What is the SMILES notation for methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The canonical SMILES for methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate is COC(=O)/C=C/[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
The InChIKey is SNULUNKGELSQNY-GVJQPLCZSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-18(16-17-21(23)24-5)25-26(22(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18H,1-5H3/b17-16+/t18-/m0/s1.
What are the key properties of methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate?
methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate has a molecular weight of 368.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enoate is sourced from PubChem (CID 44550766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).