4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid

C11H22O5Si — CID 88826788

IUPAC4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid
SMILESC=C(CC(C)(C)C[Si](OC)(OC)OC)C(=O)O
InChIInChI=1S/C11H22O5Si/c1-9(10(12)13)7-11(2,3)8-17(14-4,15-5)16-6/h1,7-8H2,2-6H3,(H,12,13)
InChIKeyPYALJBNXGDPZBP-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.92
Rot. Bonds8

About 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid

4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid (PubChem CID 88826788) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid
PubChem CID88826788
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Name4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid
SMILESC=C(CC(C)(C)C[Si](OC)(OC)OC)C(=O)O
InChIInChI=1S/C11H22O5Si/c1-9(10(12)13)7-11(2,3)8-17(14-4,15-5)16-6/h1,7-8H2,2-6H3,(H,12,13)
InChIKeyPYALJBNXGDPZBP-UHFFFAOYSA-N
XLogP1.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
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

4-hydroxy-5-methoxy-4-methyl-2-methylidene-5-oxopentanoic acid
CID 89306235
6-(4-hydroxybutoxy)-4,4-dimethyl-2-methylidene-6-oxohexanoic acid
CID 54364628
4,4-diethyl-2-methylidenehexanoic acid
CID 87644977
1-[dimethoxy(propyl)silyl]oxypropane-1,1-diamine;2-methylprop-2-enoic acid
CID 160747062
λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
CID 173454625
5-hydroxy-4-methyl-2-methylidene-4-nitropentanoic acid
CID 130301213
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneheptanoic acid
CID 87445521
3-(2-carboxyprop-2-enoxy)-3-methyl-2-methylidenebutanoic acid
CID 87076995
3-methyl-1-trimethoxysilylbut-3-en-2-one
CID 139685268
5,5,5-trifluoro-4-hydroxy-2-methylidene-4-(trifluoromethyl)pentanoic acid
CID 58823536
phosphorous acid;4,4,4-trifluoro-2-methylidenebutanoic acid
CID 157210793
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneoctanoic acid
CID 118453604

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid?
The IUPAC name of 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid (CID 88826788) is 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid is C=C(CC(C)(C)C[Si](OC)(OC)OC)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid?
The InChIKey is PYALJBNXGDPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-9(10(12)13)7-11(2,3)8-17(14-4,15-5)16-6/h1,7-8H2,2-6H3,(H,12,13).
What are the key properties of 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid?
4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid has a molecular weight of 262.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylidene-5-trimethoxysilylpentanoic acid is sourced from PubChem (CID 88826788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).