ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate

C13H24O3Si — CID 11832051

IUPACethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate
SMILESC=C=C(CC(C)(O)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-11(10-17(4,5)6)9-13(3,15)12(14)16-8-2/h15H,1,8-10H2,2-6H3
InChIKeyOCRLASHCNAAMGV-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.74
Rot. Bonds6

About ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate

ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate (PubChem CID 11832051) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate
PubChem CID11832051
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate
SMILESC=C=C(CC(C)(O)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-7-11(10-17(4,5)6)9-13(3,15)12(14)16-8-2/h15H,1,8-10H2,2-6H3
InChIKeyOCRLASHCNAAMGV-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
diethyl (2S)-2-hydroxy-2-methyl-4-oxopentanedioate
CID 11630017
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyl-4-methylidenehexanoate
CID 56849813
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
CID 139989242
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane
CID 174963921

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate?
The IUPAC name of ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate (CID 11832051) is ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate.
What is the SMILES notation for ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate?
The canonical SMILES for ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate is C=C=C(CC(C)(O)C(=O)OCC)C[Si](C)(C)C.
What is the InChIKey of ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate?
The InChIKey is OCRLASHCNAAMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-7-11(10-17(4,5)6)9-13(3,15)12(14)16-8-2/h15H,1,8-10H2,2-6H3.
What are the key properties of ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate?
ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate has a molecular weight of 256.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-methyl-4-(trimethylsilylmethyl)hexa-4,5-dienoate is sourced from PubChem (CID 11832051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).