(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal

C15H30O2Si — CID 102371780

IUPAC(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
SMILESC/C(C=O)=C\CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)17-10-8-9-15(7)11-16/h9,11-14H,8,10H2,1-7H3/b15-9+
InChIKeyUAIKELOVKYVTPK-OQLLNIDSSA-N
MW270.49 g/mol
LogP4.71
Rot. Bonds8

About (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal

(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal (PubChem CID 102371780) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal.

Molecular Properties

Compound Name(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
PubChem CID102371780
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
SMILESC/C(C=O)=C\CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)17-10-8-9-15(7)11-16/h9,11-14H,8,10H2,1-7H3/b15-9+
InChIKeyUAIKELOVKYVTPK-OQLLNIDSSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-tri(propan-2-yl)silyloxybutan-2-one
CID 13398602
[(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 10531152
(4-bromo-3-methylbut-3-enoxy)-tri(propan-2-yl)silane
CID 76597874
[(E,3S)-3,7-dimethyl-8-oxooct-6-enyl] (E,3S)-3,7-dimethyl-8-oxooct-6-enoate
CID 12047373
[(Z,2S)-4-iodo-2-methylpent-3-enoxy]-tri(propan-2-yl)silane
CID 11176499
(2E,6E)-2,6-dimethylocta-2,6-dienal
CID 19035325
(E)-2,5,6-trimethylhept-2-enal
CID 14817968
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
[(E)-7-(4-methoxyphenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
CID 15236554
(E)-2,10,16-trimethyldocos-2-enal
CID 14804078
zinc bis([(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane)
CID 10531151
[(Z)-4-tri(propan-2-yl)silyloxybut-2-enyl] acetate
CID 166436917

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
The IUPAC name of (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal (CID 102371780) is (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal.
What is the SMILES notation for (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
The canonical SMILES for (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal is C/C(C=O)=C\CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
The InChIKey is UAIKELOVKYVTPK-OQLLNIDSSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-12(2)18(13(3)4,14(5)6)17-10-8-9-15(7)11-16/h9,11-14H,8,10H2,1-7H3/b15-9+.
What are the key properties of (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal?
(E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal has a molecular weight of 270.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-tri(propan-2-yl)silyloxypent-2-enal is sourced from PubChem (CID 102371780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).