8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid

C16H30O5Si — CID 141401710

IUPAC8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCC1(C(=O)O)CCC2(C1)OCCO2
InChIInChI=1S/C16H30O5Si/c1-14(2,3)22(4,5)21-9-8-15(13(17)18)6-7-16(12-15)19-10-11-20-16/h6-12H2,1-5H3,(H,17,18)
InChIKeyHWWLCFOTGOAEFG-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.40
Rot. Bonds5

About 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid

8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 141401710) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
PubChem CID141401710
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCC1(C(=O)O)CCC2(C1)OCCO2
InChIInChI=1S/C16H30O5Si/c1-14(2,3)22(4,5)21-9-8-15(13(17)18)6-7-16(12-15)19-10-11-20-16/h6-12H2,1-5H3,(H,17,18)
InChIKeyHWWLCFOTGOAEFG-UHFFFAOYSA-N
XLogP3.40
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6,9-dioxaspiro[4.4]nonane-3-carboxylate
CID 90036628
Ethyl 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylate;2-oxaspiro[4.4]nonan-8-one
CID 160522790
methyl 2-[(3aS,4S,5R,6R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2,5-trimethyl-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-5-yl]acetate
CID 14486011
7-Methyl-1,4-dioxaspiro[4.4]nonane-7-carboxylic acid
CID 171935282

Frequently Asked Questions

What is the IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid (CID 141401710) is 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid is CC(C)(C)[Si](C)(C)OCCC1(C(=O)O)CCC2(C1)OCCO2.
What is the InChIKey of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is HWWLCFOTGOAEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-14(2,3)22(4,5)21-9-8-15(13(17)18)6-7-16(12-15)19-10-11-20-16/h6-12H2,1-5H3,(H,17,18).
What are the key properties of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 330.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 141401710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).