(E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal

C14H28O2Si — CID 11807308

IUPAC(E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
SMILESC/C(C=O)=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-9-8-14(7)10-15/h8,10-13H,9H2,1-7H3/b14-8+
InChIKeyAXPRYUVQTWVXLQ-RIYZIHGNSA-N
MW256.46 g/mol
LogP4.32
Rot. Bonds7

About (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal

(E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal (PubChem CID 11807308) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal.

Molecular Properties

Compound Name(E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
PubChem CID11807308
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal
SMILESC/C(C=O)=C\CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-9-8-14(7)10-15/h8,10-13H,9H2,1-7H3/b14-8+
InChIKeyAXPRYUVQTWVXLQ-RIYZIHGNSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.32
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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Related Compounds

(E)-4-((tert-Butyldimethylsilyl)oxy)but-2-enal
CID 10536054
(E)-4-tri(propan-2-yl)silyloxybut-2-enal
CID 11075638
4-((tert-Butyldimethylsilyl)oxy)-2-methylbut-2-enal
CID 11790577
4-{[tert-Butyl(dimethyl)silyl]oxy}but-2-enal
CID 71340532
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal
CID 134875755
(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
CID 101234175
(Methylmethacryloyl)dimethyl-methoxysilane
CID 129829528
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal
CID 134855314
(E)-4-[tert-butyl(dimethyl)silyl]oxy-3-tributylstannylbut-2-enal
CID 155937156
(E)-3-[tris-(1-methylethyl)silyloxymethyl]but-2-enal
CID 11736972
(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal
CID 11748025
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enal
CID 14185011

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
The IUPAC name of (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal (CID 11807308) is (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal.
What is the SMILES notation for (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
The canonical SMILES for (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal is C/C(C=O)=C\CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
The InChIKey is AXPRYUVQTWVXLQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-11(2)17(12(3)4,13(5)6)16-9-8-14(7)10-15/h8,10-13H,9H2,1-7H3/b14-8+.
What are the key properties of (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal?
(E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal has a molecular weight of 256.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-tri(propan-2-yl)silyloxybut-2-enal is sourced from PubChem (CID 11807308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).