4-[2-(diethoxymethylsilyl)ethyl]benzoic acid

C14H22O4Si — CID 150225966

IUPAC4-[2-(diethoxymethylsilyl)ethyl]benzoic acid
SMILESCCOC(OCC)[SiH2]CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H22O4Si/c1-3-17-14(18-4-2)19-10-9-11-5-7-12(8-6-11)13(15)16/h5-8,14H,3-4,9-10,19H2,1-2H3,(H,15,16)
InChIKeyFULVXRPBHFDPQI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds9

About 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid

4-[2-(diethoxymethylsilyl)ethyl]benzoic acid (PubChem CID 150225966) has the molecular formula C14H22O4Si and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(diethoxymethylsilyl)ethyl]benzoic acid
PubChem CID150225966
Molecular FormulaC14H22O4Si
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name4-[2-(diethoxymethylsilyl)ethyl]benzoic acid
SMILESCCOC(OCC)[SiH2]CCc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H22O4Si/c1-3-17-14(18-4-2)19-10-9-11-5-7-12(8-6-11)13(15)16/h5-8,14H,3-4,9-10,19H2,1-2H3,(H,15,16)
InChIKeyFULVXRPBHFDPQI-UHFFFAOYSA-N
XLogP1.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.87
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'}

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Related Compounds

ethane;4-propylbenzoic acid
CID 91047964
4-[2-(4,4-dimethoxybutylsilyl)ethyl]benzoic acid
CID 150548695
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767
4-(3,3-dimethoxypropyl)benzoic acid
CID 21477511
4-(2-chloroethyl)benzoic acid;dipropylsilane
CID 157392216
4-[3-[methyl(propan-2-yl)amino]propyl]benzoic acid
CID 20738362
4-[2-[dibutyl(ethoxy)silyl]ethyl]benzoic acid
CID 141255489
(3S,5S)-heptane-3,5-diol;bis(4-propylbenzoic acid)
CID 121293611
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
(3R,5R)-heptane-3,5-diol;bis(4-propylbenzoic acid)
CID 121293695
4-(3-methoxybutyl)benzoic acid
CID 117111500

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid?
The IUPAC name of 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid (CID 150225966) is 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid is CCOC(OCC)[SiH2]CCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid?
The InChIKey is FULVXRPBHFDPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si/c1-3-17-14(18-4-2)19-10-9-11-5-7-12(8-6-11)13(15)16/h5-8,14H,3-4,9-10,19H2,1-2H3,(H,15,16).
What are the key properties of 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid?
4-[2-(diethoxymethylsilyl)ethyl]benzoic acid has a molecular weight of 282.41 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethoxymethylsilyl)ethyl]benzoic acid is sourced from PubChem (CID 150225966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).