2,2-bis(1-trimethoxysilylpropyl)decanedioic acid

C22H46O10Si2 — CID 18427164

IUPAC2,2-bis(1-trimethoxysilylpropyl)decanedioic acid
SMILESCCC(C(CCCCCCCC(=O)O)(C(=O)O)C(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C22H46O10Si2/c1-9-18(33(27-3,28-4)29-5)22(21(25)26,17-15-13-11-12-14-16-20(23)24)19(10-2)34(30-6,31-7)32-8/h18-19H,9-17H2,1-8H3,(H,23,24)(H,25,26)
InChIKeyHBLWRBMARHOEMU-UHFFFAOYSA-N
MW526.77 g/mol
LogP4.19
Rot. Bonds21

About 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid

2,2-bis(1-trimethoxysilylpropyl)decanedioic acid (PubChem CID 18427164) has the molecular formula C22H46O10Si2 and a molecular weight of 526.77 g/mol. Its IUPAC name is 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(1-trimethoxysilylpropyl)decanedioic acid
PubChem CID18427164
Molecular FormulaC22H46O10Si2
Molecular Weight526.77 g/mol
Exact Mass526.26
IUPAC Name2,2-bis(1-trimethoxysilylpropyl)decanedioic acid
SMILESCCC(C(CCCCCCCC(=O)O)(C(=O)O)C(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC
InChIInChI=1S/C22H46O10Si2/c1-9-18(33(27-3,28-4)29-5)22(21(25)26,17-15-13-11-12-14-16-20(23)24)19(10-2)34(30-6,31-7)32-8/h18-19H,9-17H2,1-8H3,(H,23,24)(H,25,26)
InChIKeyHBLWRBMARHOEMU-UHFFFAOYSA-N
XLogP4.19
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.77
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Medica 16
CID 121871
3,3,16,16-Tetramethyl-octadecanedioic acid
CID 11523584
3,3,12,12-Tetramethyltetradecanedioic acid
CID 14614313
3,3,18,18-Tetramethyl-icosanedioic acid
CID 14614316
2,9-Dimethyl-2,9-dipropyldecanedioic acid
CID 3069694
2,9-Dibutyl-2,9-dimethyldecanedioic acid
CID 3069695
2,10-Diethyl-2,10-dimethylundecanedioic acid
CID 3069696
2,11-Diethyl-2,11-dimethyldodecanedioic acid
CID 3069697
2,11-Dimethyl-2,11-dipropyldodecanedioic acid
CID 3069698
2,11-Dibutyl-2,11-dimethyldodecanedioic acid
CID 3069699
3,3,13,13-Tetramethylpentadecanedioic acid
CID 14614314
3,3,15,15-Tetramethylheptadecanedioic acid
CID 14614315

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid?
The IUPAC name of 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid (CID 18427164) is 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid.
What is the SMILES notation for 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid?
The canonical SMILES for 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid is CCC(C(CCCCCCCC(=O)O)(C(=O)O)C(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.
What is the InChIKey of 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid?
The InChIKey is HBLWRBMARHOEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O10Si2/c1-9-18(33(27-3,28-4)29-5)22(21(25)26,17-15-13-11-12-14-16-20(23)24)19(10-2)34(30-6,31-7)32-8/h18-19H,9-17H2,1-8H3,(H,23,24)(H,25,26).
What are the key properties of 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid?
2,2-bis(1-trimethoxysilylpropyl)decanedioic acid has a molecular weight of 526.77 g/mol, XLogP of 4.19, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-trimethoxysilylpropyl)decanedioic acid is sourced from PubChem (CID 18427164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).