butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate

C12H22O3Si — CID 101463709

IUPACbutyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate
SMILESC=C=C(C(O)C(=O)OCCCC)[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-8-9-15-12(14)11(13)10(7-2)16(3,4)5/h11,13H,2,6,8-9H2,1,3-5H3
InChIKeyYTYZUMSBJJXCMX-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.28
Rot. Bonds6

About butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate

butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate (PubChem CID 101463709) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate.

Molecular Properties

Compound Namebutyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate
PubChem CID101463709
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Namebutyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate
SMILESC=C=C(C(O)C(=O)OCCCC)[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-6-8-9-15-12(14)11(13)10(7-2)16(3,4)5/h11,13H,2,6,8-9H2,1,3-5H3
InChIKeyYTYZUMSBJJXCMX-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-hydroxy-5-methyl-3-oxohexanoate
CID 89274822
butyl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 14360080
butyl 2-trimethylsilyloxypropanoate
CID 88549339
butyl 2-acetyl-3-oxobutanoate
CID 4571459
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
butyl 4-amino-2-hydroxybutanoate
CID 107837486
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
CID 95239962
dihexyl 2,3-dihydroxybutanedioate
CID 13021195
butyl 2-butylhexanoate;stannane
CID 172996715
butyl 2-trimethylsilyloxyethyl carbonate
CID 155712714
butyl (2R)-2-amino-3-[[(2R)-2-amino-3-butoxy-3-oxopropyl]disulfanyl]propanoate
CID 87067762
butyl (2R)-2-hydroxy-4-methylidenehex-5-enoate
CID 165353919

Frequently Asked Questions

What is the IUPAC name of butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate?
The IUPAC name of butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate (CID 101463709) is butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate.
What is the SMILES notation for butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate?
The canonical SMILES for butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate is C=C=C(C(O)C(=O)OCCCC)[Si](C)(C)C.
What is the InChIKey of butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate?
The InChIKey is YTYZUMSBJJXCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-6-8-9-15-12(14)11(13)10(7-2)16(3,4)5/h11,13H,2,6,8-9H2,1,3-5H3.
What are the key properties of butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate?
butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate has a molecular weight of 242.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-hydroxy-3-trimethylsilylpenta-3,4-dienoate is sourced from PubChem (CID 101463709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).