[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate

C14H28O8 — CID 139923284

IUPAC[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
SMILESCCOCCOCCC(COC(=O)O)OCCOCCOC
InChIInChI=1S/C14H28O8/c1-3-18-8-9-19-5-4-13(12-22-14(15)16)21-11-10-20-7-6-17-2/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyOROZCKYIJJCGRH-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.17
Rot. Bonds16

About [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate

[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate (PubChem CID 139923284) has the molecular formula C14H28O8 and a molecular weight of 324.37 g/mol. Its IUPAC name is [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
PubChem CID139923284
Molecular FormulaC14H28O8
Molecular Weight324.37 g/mol
Exact Mass324.18
IUPAC Name[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
SMILESCCOCCOCCC(COC(=O)O)OCCOCCOC
InChIInChI=1S/C14H28O8/c1-3-18-8-9-19-5-4-13(12-22-14(15)16)21-11-10-20-7-6-17-2/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyOROZCKYIJJCGRH-UHFFFAOYSA-N
XLogP1.17
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
CID 139923197
[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
CID 139923093
2-(2-ethoxyethoxy)heptyl hydrogen carbonate
CID 139923312
[4-(2-butoxyethoxy)-6-ethoxyhexyl] hydrogen carbonate
CID 139923295
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
CID 141068739
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
4-[2-[2-[1-[2-[2-[2,3-bis[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]butan-2-yloxy]ethoxy]ethoxy]-1,2-bis[2-(2-methoxyethoxy)ethoxy]butane;methanethiol
CID 157198913
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
bis[2-(2-ethoxyethoxy)octyl] carbonate
CID 87841193

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
The IUPAC name of [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate (CID 139923284) is [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate.
What is the SMILES notation for [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
The canonical SMILES for [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate is CCOCCOCCC(COC(=O)O)OCCOCCOC.
What is the InChIKey of [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
The InChIKey is OROZCKYIJJCGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O8/c1-3-18-8-9-19-5-4-13(12-22-14(15)16)21-11-10-20-7-6-17-2/h13H,3-12H2,1-2H3,(H,15,16).
What are the key properties of [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate has a molecular weight of 324.37 g/mol, XLogP of 1.17, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate is sourced from PubChem (CID 139923284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).