but-3-enoic acid;trimethylsilyl but-3-enoate

C11H20O4Si — CID 159552551

IUPACbut-3-enoic acid;trimethylsilyl but-3-enoate
SMILESC=CCC(=O)O.C=CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C7H14O2Si.C4H6O2/c1-5-6-7(8)9-10(2,3)4;1-2-3-4(5)6/h5H,1,6H2,2-4H3;2H,1,3H2,(H,5,6)
InChIKeyMFOOLKSZBHYFMW-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.59
Rot. Bonds5

About but-3-enoic acid;trimethylsilyl but-3-enoate

but-3-enoic acid;trimethylsilyl but-3-enoate (PubChem CID 159552551) has the molecular formula C11H20O4Si and a molecular weight of 244.36 g/mol. Its IUPAC name is but-3-enoic acid;trimethylsilyl but-3-enoate.

Molecular Properties

Compound Namebut-3-enoic acid;trimethylsilyl but-3-enoate
PubChem CID159552551
Molecular FormulaC11H20O4Si
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Namebut-3-enoic acid;trimethylsilyl but-3-enoate
SMILESC=CCC(=O)O.C=CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C7H14O2Si.C4H6O2/c1-5-6-7(8)9-10(2,3)4;1-2-3-4(5)6/h5H,1,6H2,2-4H3;2H,1,3H2,(H,5,6)
InChIKeyMFOOLKSZBHYFMW-UHFFFAOYSA-N
XLogP2.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethylsilyl but-3-enoate
CID 158687975
but-3-enoic acid;furan
CID 174949831
but-3-enoic acid;ethenyl propanoate
CID 157316958
but-3-enoic acid;dichloromethane
CID 174886985
but-3-enoic acid;sulfuric acid
CID 87373537
bis(trimethylsilyl) pent-2-enedioate
CID 553041
but-3-enoic acid;terephthalic acid
CID 158519909
but-3-enoic acid;(Z)-4-ethenoxy-4-oxobut-2-enoic acid
CID 175246297
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
trimethylsilyl 2-fluoroacetate
CID 123819311
4-but-3-enoyloxybut-2-enoic acid
CID 123546814

Frequently Asked Questions

What is the IUPAC name of but-3-enoic acid;trimethylsilyl but-3-enoate?
The IUPAC name of but-3-enoic acid;trimethylsilyl but-3-enoate (CID 159552551) is but-3-enoic acid;trimethylsilyl but-3-enoate.
What is the SMILES notation for but-3-enoic acid;trimethylsilyl but-3-enoate?
The canonical SMILES for but-3-enoic acid;trimethylsilyl but-3-enoate is C=CCC(=O)O.C=CCC(=O)O[Si](C)(C)C.
What is the InChIKey of but-3-enoic acid;trimethylsilyl but-3-enoate?
The InChIKey is MFOOLKSZBHYFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si.C4H6O2/c1-5-6-7(8)9-10(2,3)4;1-2-3-4(5)6/h5H,1,6H2,2-4H3;2H,1,3H2,(H,5,6).
What are the key properties of but-3-enoic acid;trimethylsilyl but-3-enoate?
but-3-enoic acid;trimethylsilyl but-3-enoate has a molecular weight of 244.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoic acid;trimethylsilyl but-3-enoate is sourced from PubChem (CID 159552551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).