butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate

C14H28O4Si — CID 19922589

IUPACbutyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate
SMILESC/C=C(\O[Si](C)(C)C)C(C)C(O)C(=O)OCCCC
InChIInChI=1S/C14H28O4Si/c1-7-9-10-17-14(16)13(15)11(3)12(8-2)18-19(4,5)6/h8,11,13,15H,7,9-10H2,1-6H3/b12-8-
InChIKeyLWIVJJQKOFGNFA-WQLSENKSSA-N
MW288.46 g/mol
LogP3.08
Rot. Bonds8

About butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate

butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate (PubChem CID 19922589) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate.

Molecular Properties

Compound Namebutyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate
PubChem CID19922589
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namebutyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate
SMILESC/C=C(\O[Si](C)(C)C)C(C)C(O)C(=O)OCCCC
InChIInChI=1S/C14H28O4Si/c1-7-9-10-17-14(16)13(15)11(3)12(8-2)18-19(4,5)6/h8,11,13,15H,7,9-10H2,1-6H3/b12-8-
InChIKeyLWIVJJQKOFGNFA-WQLSENKSSA-N
XLogP3.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl 2-trimethylsilyloxypropanoate
CID 88549339
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
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dihexyl 2,3-dihydroxybutanedioate
CID 13021195
butyl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 14360080
1-O-hexyl 4-O-pentyl 2-(2-hydroxypropyl)-3-methylbutanedioate;methane
CID 159653513
butyl 2-butoxy-3-hydroxybutanoate
CID 87978706
butyl 2-hydroxy-5-methyl-3-oxohexanoate
CID 89274822
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate
CID 139703201
1-O-methyl 4-O-octadec-9-enyl 2,3-dihydroxybutanedioate
CID 173456836
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
bis(6-methylheptyl) 2,3-dihydroxybutanedioate
CID 87505003
octadecyl 2-hydroxypropanoate;zinc
CID 174699116

Frequently Asked Questions

What is the IUPAC name of butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate?
The IUPAC name of butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate (CID 19922589) is butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate.
What is the SMILES notation for butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate?
The canonical SMILES for butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate is C/C=C(\O[Si](C)(C)C)C(C)C(O)C(=O)OCCCC.
What is the InChIKey of butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate?
The InChIKey is LWIVJJQKOFGNFA-WQLSENKSSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-7-9-10-17-14(16)13(15)11(3)12(8-2)18-19(4,5)6/h8,11,13,15H,7,9-10H2,1-6H3/b12-8-.
What are the key properties of butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate?
butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate has a molecular weight of 288.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (Z)-2-hydroxy-3-methyl-4-trimethylsilyloxyhex-4-enoate is sourced from PubChem (CID 19922589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).