trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate

C9H18O4Si — CID 87381108

IUPACtrimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate
SMILESCC(=CC(O)CO)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O4Si/c1-7(5-8(11)6-10)9(12)13-14(2,3)4/h5,8,10-11H,6H2,1-4H3
InChIKeyOZGQDGCFAAUDDW-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.66
Rot. Bonds4

About trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate

trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate (PubChem CID 87381108) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate
PubChem CID87381108
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Nametrimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate
SMILESCC(=CC(O)CO)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O4Si/c1-7(5-8(11)6-10)9(12)13-14(2,3)4/h5,8,10-11H,6H2,1-4H3
InChIKeyOZGQDGCFAAUDDW-UHFFFAOYSA-N
XLogP0.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(trimethylsilyl) (E)-2-methylbut-2-enedioate
CID 12598819
ethane-1,2-diol;trimethylsilyl 2-methylprop-2-enoate
CID 87381259
trimethylsilyl 2-oxopropanoate
CID 554459
trimethylsilyl (E)-2,6,10,14-tetramethylpentadec-2-enoate
CID 101242202
trimethylsilyl 2-oxopentanoate
CID 530075
4-hydroxy-2-methylhex-2-enedioic acid
CID 154259109
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxybut-2-enoate
CID 5352679
methyl 4,8-dihydroxy-2-methylnon-2-enoate
CID 173440070
(Z)-3-methyl-4-oxo-4-(1-oxo-1-trimethylsilyloxypropan-2-yl)oxybut-2-enoic acid
CID 174480763
prop-2-enoyl 4,7-dihydroxy-2-methylhept-2-enoate
CID 174774557
trimethylsilyl (E)-2-propylpent-2-enoate
CID 5352357
[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate
CID 123793522

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate?
The IUPAC name of trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate (CID 87381108) is trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate.
What is the SMILES notation for trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate?
The canonical SMILES for trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate is CC(=CC(O)CO)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate?
The InChIKey is OZGQDGCFAAUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-7(5-8(11)6-10)9(12)13-14(2,3)4/h5,8,10-11H,6H2,1-4H3.
What are the key properties of trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate?
trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate has a molecular weight of 218.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4,5-dihydroxy-2-methylpent-2-enoate is sourced from PubChem (CID 87381108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).