(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal

C23H30O2Si — CID 11132305

IUPAC(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal
SMILESC/C(C=O)=C\[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O2Si/c1-19(17-24)16-20(2)18-25-26(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,20H,18H2,1-5H3/b19-16+/t20-/m0/s1
InChIKeyKYMJZAYLXKYBCJ-UETJRYKRSA-N
MW366.58 g/mol
LogP4.34
Rot. Bonds7

About (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal

(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal (PubChem CID 11132305) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal.

Molecular Properties

Compound Name(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal
PubChem CID11132305
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Name(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal
SMILESC/C(C=O)=C\[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O2Si/c1-19(17-24)16-20(2)18-25-26(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,20H,18H2,1-5H3/b19-16+/t20-/m0/s1
InChIKeyKYMJZAYLXKYBCJ-UETJRYKRSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal?
The IUPAC name of (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal (CID 11132305) is (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal.
What is the SMILES notation for (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal?
The canonical SMILES for (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal is C/C(C=O)=C\[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal?
The InChIKey is KYMJZAYLXKYBCJ-UETJRYKRSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-19(17-24)16-20(2)18-25-26(23(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,20H,18H2,1-5H3/b19-16+/t20-/m0/s1.
What are the key properties of (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal?
(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal has a molecular weight of 366.58 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal is sourced from PubChem (CID 11132305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).