(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal

C14H26O2Si — CID 101234176

IUPAC(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal
SMILESC=C(/C=C/C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-11(2)17(12(3)4,13(5)6)16-14(7)9-8-10-15/h8-13H,7H2,1-6H3/b9-8+
InChIKeyIYOAWAWNEMMDLV-CMDGGOBGSA-N
MW254.45 g/mol
LogP4.45
Rot. Bonds7

About (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal

(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal (PubChem CID 101234176) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal.

Molecular Properties

Compound Name(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal
PubChem CID101234176
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal
SMILESC=C(/C=C/C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-11(2)17(12(3)4,13(5)6)16-14(7)9-8-10-15/h8-13H,7H2,1-6H3/b9-8+
InChIKeyIYOAWAWNEMMDLV-CMDGGOBGSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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-Butyl(dimethyl)silyl]oxy}but-2-enal
CID 71340532
(2E)-4-trimethylsilyloxypenta-2,4-dienal
CID 11355736
4-Trimethylsilyloxypenta-2,4-dienal
CID 72814736
(2E)-4-triethylsilyloxypenta-2,4-dienal
CID 101234174
(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
CID 101234175
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(4s)-(z)-4-(Triisopropylsilyl-oxy)pent-2-enal
CID 129826283
(2E,4E)-5-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
CID 134893398
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enal
CID 14185011
4-Tri(propan-2-yl)silyloxybut-2-enal
CID 85389821

Frequently Asked Questions

What is the IUPAC name of (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal?
The IUPAC name of (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal (CID 101234176) is (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal.
What is the SMILES notation for (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal?
The canonical SMILES for (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal is C=C(/C=C/C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal?
The InChIKey is IYOAWAWNEMMDLV-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-11(2)17(12(3)4,13(5)6)16-14(7)9-8-10-15/h8-13H,7H2,1-6H3/b9-8+.
What are the key properties of (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal?
(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal has a molecular weight of 254.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal is sourced from PubChem (CID 101234176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).