4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid

C8H14O4Si — CID 176528897

IUPAC4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid
SMILESCOC(OC)[SiH2]C=C=C(C)C(=O)O
InChIInChI=1S/C8H14O4Si/c1-6(7(9)10)4-5-13-8(11-2)12-3/h5,8H,13H2,1-3H3,(H,9,10)
InChIKeyVVOFAIYWSGITCH-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.12
Rot. Bonds5

About 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid

4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid (PubChem CID 176528897) has the molecular formula C8H14O4Si and a molecular weight of 202.28 g/mol. Its IUPAC name is 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid.

Molecular Properties

Compound Name4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid
PubChem CID176528897
Molecular FormulaC8H14O4Si
Molecular Weight202.28 g/mol
Exact Mass202.07
IUPAC Name4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid
SMILESCOC(OC)[SiH2]C=C=C(C)C(=O)O
InChIInChI=1S/C8H14O4Si/c1-6(7(9)10)4-5-13-8(11-2)12-3/h5,8H,13H2,1-3H3,(H,9,10)
InChIKeyVVOFAIYWSGITCH-UHFFFAOYSA-N
XLogP-0.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpenta-2,3-dienoic acid;phosphoric acid
CID 176527100
7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid
CID 176528706
6,6-dimethoxy-5-methylhex-4-enoic acid
CID 56632214
4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid
CID 176528894
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
5-hydroxy-2-methyl-6-prop-2-enoyloxyhexa-2,3-dienoic acid
CID 118897143
(E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid
CID 173113685
1-methoxyethanamine;2-oxopropanoic acid
CID 174574648
2-methoxyiminopropanoic acid;zinc
CID 174796491
3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid
CID 123762143
(E)-6-methoxy-2-methylhept-2-enoic acid
CID 22026595
6-hydroxy-6-methoxy-2-methylhex-2-enoic acid
CID 54081309

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid?
The IUPAC name of 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid (CID 176528897) is 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid.
What is the SMILES notation for 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid?
The canonical SMILES for 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid is COC(OC)[SiH2]C=C=C(C)C(=O)O.
What is the InChIKey of 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid?
The InChIKey is VVOFAIYWSGITCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4Si/c1-6(7(9)10)4-5-13-8(11-2)12-3/h5,8H,13H2,1-3H3,(H,9,10).
What are the key properties of 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid?
4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid has a molecular weight of 202.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid is sourced from PubChem (CID 176528897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).