2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid

C14H28O7Si — CID 22134370

IUPAC2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid
SMILESCCO[Si](OCC)(OCC)C(C(=O)O)C(CC(C)C)C(=O)O
InChIInChI=1S/C14H28O7Si/c1-6-19-22(20-7-2,21-8-3)12(14(17)18)11(13(15)16)9-10(4)5/h10-12H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyZIIWSFPNWJROAY-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.24
Rot. Bonds12

About 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid

2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid (PubChem CID 22134370) has the molecular formula C14H28O7Si and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid
PubChem CID22134370
Molecular FormulaC14H28O7Si
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid
SMILESCCO[Si](OCC)(OCC)C(C(=O)O)C(CC(C)C)C(=O)O
InChIInChI=1S/C14H28O7Si/c1-6-19-22(20-7-2,21-8-3)12(14(17)18)11(13(15)16)9-10(4)5/h10-12H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyZIIWSFPNWJROAY-UHFFFAOYSA-N
XLogP2.24
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Isobutylsuccinic acid 1-methyl ester
CID 10130288
2-(3-Trimethoxysilylpropyl)butanedioic acid;trimethoxy(trifluoromethyl)silane
CID 161729004
(S)-3-(methoxycarbonyl)-5-methylhexanoic acid
CID 2734513
(R)-2-isobutylsuccinic acid-1-methyl ester
CID 5702633
1-ethyl hydrogen 2(RS)-isobutylsuccinate
CID 10198123
2-Isobutyl-3-(methoxycarbonyl)-propionic acid
CID 10583768
(2R)-2-[(methoxycarbonyl)methyl]-4-methylpentanoic acid
CID 10631458
(2S)-2-(2-methoxy-2-oxoethyl)-4-methylpentanoic acid
CID 10750110
(2R)-2-[(Ethoxycarbonyl)methyl]-4-methylpentanoic acid
CID 11106409
2-(3-Triethoxysilylpropyl)butanedioic acid
CID 11544318
3-(Ethoxycarbonyl)-2-(2-methylpropyl)propanoic acid
CID 14303036
2-(3-Trimethoxysilylpropyl)butanedioic acid
CID 19981225

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid?
The IUPAC name of 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid (CID 22134370) is 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid.
What is the SMILES notation for 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid?
The canonical SMILES for 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid is CCO[Si](OCC)(OCC)C(C(=O)O)C(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid?
The InChIKey is ZIIWSFPNWJROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7Si/c1-6-19-22(20-7-2,21-8-3)12(14(17)18)11(13(15)16)9-10(4)5/h10-12H,6-9H2,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid?
2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid has a molecular weight of 336.46 g/mol, XLogP of 2.24, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-triethoxysilylbutanedioic acid is sourced from PubChem (CID 22134370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).