methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate

C18H34O6Si — CID 14467262

IUPACmethyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate
SMILESCCC1OC2(CCCC2)OC1(COCOCC[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C18H34O6Si/c1-6-15-18(16(19)20-2,24-17(23-15)9-7-8-10-17)13-22-14-21-11-12-25(3,4)5/h15H,6-14H2,1-5H3
InChIKeyGOYFDPFOQBZADK-UHFFFAOYSA-N
MW374.55 g/mol
LogP3.32
Rot. Bonds9

About methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate

methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate (PubChem CID 14467262) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate
PubChem CID14467262
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Namemethyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate
SMILESCCC1OC2(CCCC2)OC1(COCOCC[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C18H34O6Si/c1-6-15-18(16(19)20-2,24-17(23-15)9-7-8-10-17)13-22-14-21-11-12-25(3,4)5/h15H,6-14H2,1-5H3
InChIKeyGOYFDPFOQBZADK-UHFFFAOYSA-N
XLogP3.32
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(3aR,5R,7R,7aS)-7-hydroxy-5-(2-trimethylsilylethoxymethoxy)spiro[4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-2,1'-cyclohexane]-5-yl]propanoate
CID 10671589
1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
CID 11471281
trimethyl-[2-[[1-[1-(2-trimethylsilylethoxymethyl)cyclohexyl]oxycyclohexyl]methoxy]ethyl]silane
CID 70179355
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane
CID 10241087
2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 14635962
ethoxyethane;trimethyl-[2-(2-trimethylsilylethoxymethoxymethoxy)ethyl]silane
CID 88546409
1-methyl-4-(2-trimethylsilylethoxymethoxy)cyclohexane-1-carboxylic acid
CID 86695198
methyl (2R)-2-ethyl-4-oxo-3-trimethylsilyloxetane-2-carboxylate
CID 134894264
(4R,5R,8R,9S)-9-hydroxy-8-(hydroxymethyl)-2,2-dimethyl-6-oxo-4-(2-trimethylsilylethoxymethoxymethyl)-1,3,7-trioxaspiro[4.4]nonane-9-carboxylic acid
CID 10502344
2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate
CID 101409779
methyl (3aR,4R,6R,6aR)-4-chloro-6-(methoxymethoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate
CID 102121133

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate?
The IUPAC name of methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate (CID 14467262) is methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate is CCC1OC2(CCCC2)OC1(COCOCC[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate?
The InChIKey is GOYFDPFOQBZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-6-15-18(16(19)20-2,24-17(23-15)9-7-8-10-17)13-22-14-21-11-12-25(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate?
methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate has a molecular weight of 374.55 g/mol, XLogP of 3.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-3-(2-trimethylsilylethoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylate is sourced from PubChem (CID 14467262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).