2,2-bis(triethoxysilyl)hexanoic acid

C18H40O8Si2 — CID 90786538

IUPAC2,2-bis(triethoxysilyl)hexanoic acid
SMILESCCCCC(C(=O)O)([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40O8Si2/c1-8-15-16-18(17(19)20,27(21-9-2,22-10-3)23-11-4)28(24-12-5,25-13-6)26-14-7/h8-16H2,1-7H3,(H,19,20)
InChIKeyQZYWEQIEADGFNY-UHFFFAOYSA-N
MW440.68 g/mol
LogP3.64
Rot. Bonds18

About 2,2-bis(triethoxysilyl)hexanoic acid

2,2-bis(triethoxysilyl)hexanoic acid (PubChem CID 90786538) has the molecular formula C18H40O8Si2 and a molecular weight of 440.68 g/mol. Its IUPAC name is 2,2-bis(triethoxysilyl)hexanoic acid.

Molecular Properties

Compound Name2,2-bis(triethoxysilyl)hexanoic acid
PubChem CID90786538
Molecular FormulaC18H40O8Si2
Molecular Weight440.68 g/mol
Exact Mass440.23
IUPAC Name2,2-bis(triethoxysilyl)hexanoic acid
SMILESCCCCC(C(=O)O)([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H40O8Si2/c1-8-15-16-18(17(19)20,27(21-9-2,22-10-3)23-11-4)28(24-12-5,25-13-6)26-14-7/h8-16H2,1-7H3,(H,19,20)
InChIKeyQZYWEQIEADGFNY-UHFFFAOYSA-N
XLogP3.64
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

pentane-1,1,1-tricarboxylic acid
CID 19386814
2-butyl-2-methylhexanoic acid
CID 15930803
triethoxy(2-methylnonan-2-yl)silane
CID 18999451
2-butyl-2-chlorohexanoic acid
CID 178066863
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
2,2-diethylhexanoic acid;indigane
CID 175172164
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;nickel
CID 174321081
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
CID 87969329
CID 87969329
5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one
CID 87595221

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(triethoxysilyl)hexanoic acid?
The IUPAC name of 2,2-bis(triethoxysilyl)hexanoic acid (CID 90786538) is 2,2-bis(triethoxysilyl)hexanoic acid.
What is the SMILES notation for 2,2-bis(triethoxysilyl)hexanoic acid?
The canonical SMILES for 2,2-bis(triethoxysilyl)hexanoic acid is CCCCC(C(=O)O)([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of 2,2-bis(triethoxysilyl)hexanoic acid?
The InChIKey is QZYWEQIEADGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O8Si2/c1-8-15-16-18(17(19)20,27(21-9-2,22-10-3)23-11-4)28(24-12-5,25-13-6)26-14-7/h8-16H2,1-7H3,(H,19,20).
What are the key properties of 2,2-bis(triethoxysilyl)hexanoic acid?
2,2-bis(triethoxysilyl)hexanoic acid has a molecular weight of 440.68 g/mol, XLogP of 3.64, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(triethoxysilyl)hexanoic acid is sourced from PubChem (CID 90786538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).