(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one

C26H35NO2Si — CID 45103028

IUPAC(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCCCC/C=C\[C@@H]1CCC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO2Si/c1-26(2,3)30(23-15-9-6-10-16-23,24-17-11-7-12-18-24)29-21-13-5-4-8-14-22-19-20-25(28)27-22/h6-12,14-18,22H,4-5,13,19-21H2,1-3H3,(H,27,28)/b14-8-/t22-/m1/s1
InChIKeyDYMWQOSMCVZAME-VRVLXJBKSA-N
MW421.66 g/mol
LogP4.57
Rot. Bonds9

About (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one

(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one (PubChem CID 45103028) has the molecular formula C26H35NO2Si and a molecular weight of 421.66 g/mol. Its IUPAC name is (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
PubChem CID45103028
Molecular FormulaC26H35NO2Si
Molecular Weight421.66 g/mol
Exact Mass421.24
IUPAC Name(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OCCCC/C=C\[C@@H]1CCC(=O)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO2Si/c1-26(2,3)30(23-15-9-6-10-16-23,24-17-11-7-12-18-24)29-21-13-5-4-8-14-22-19-20-25(28)27-22/h6-12,14-18,22H,4-5,13,19-21H2,1-3H3,(H,27,28)/b14-8-/t22-/m1/s1
InChIKeyDYMWQOSMCVZAME-VRVLXJBKSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.66
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
(4S,5R)-5-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-phenylmethoxypyrrolidin-2-one
CID 122224826
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
CID 134866999
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
CID 10319406

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one (CID 45103028) is (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one is CC(C)(C)[Si](OCCCC/C=C\[C@@H]1CCC(=O)N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one?
The InChIKey is DYMWQOSMCVZAME-VRVLXJBKSA-N. The full InChI is InChI=1S/C26H35NO2Si/c1-26(2,3)30(23-15-9-6-10-16-23,24-17-11-7-12-18-24)29-21-13-5-4-8-14-22-19-20-25(28)27-22/h6-12,14-18,22H,4-5,13,19-21H2,1-3H3,(H,27,28)/b14-8-/t22-/m1/s1.
What are the key properties of (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one?
(5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one has a molecular weight of 421.66 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 45103028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).