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

C13H26O8 — CID 139923215

IUPAC[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
SMILESCOCCOCCOC(CCOCCOC)COC(=O)O
InChIInChI=1S/C13H26O8/c1-16-5-7-18-4-3-12(11-21-13(14)15)20-10-9-19-8-6-17-2/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyUKRDUCULFOLIPM-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.78
Rot. Bonds15

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

[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate (PubChem CID 139923215) has the molecular formula C13H26O8 and a molecular weight of 310.34 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
PubChem CID139923215
Molecular FormulaC13H26O8
Molecular Weight310.34 g/mol
Exact Mass310.16
IUPAC Name[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
SMILESCOCCOCCOC(CCOCCOC)COC(=O)O
InChIInChI=1S/C13H26O8/c1-16-5-7-18-4-3-12(11-21-13(14)15)20-10-9-19-8-6-17-2/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyUKRDUCULFOLIPM-UHFFFAOYSA-N
XLogP0.78
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.78
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-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
CID 139923197
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
CID 141068739
[4-ethoxy-2-(2-methoxybutoxy)butyl] hydrogen carbonate
CID 139923093
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
2-(2-ethoxyethoxy)heptyl hydrogen carbonate
CID 139923312
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
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
2-[1-[3-[2-(2-aminoacetyl)oxyethoxy]-4-(2-methoxyethoxy)butoxy]-4-[2,2-bis[2-(2-aminoacetyl)oxyethoxy]ethoxy]butan-2-yl]oxyethyl 2-aminoacetate
CID 54173836
2-[3-[2-[2-[2-[2-[1,3-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]acetamide
CID 141360570
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
CID 102433631

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
The IUPAC name of [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate (CID 139923215) is [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate.
What is the SMILES notation for [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
The canonical SMILES for [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate is COCCOCCOC(CCOCCOC)COC(=O)O.
What is the InChIKey of [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
The InChIKey is UKRDUCULFOLIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O8/c1-16-5-7-18-4-3-12(11-21-13(14)15)20-10-9-19-8-6-17-2/h12H,3-11H2,1-2H3,(H,14,15).
What are the key properties of [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate?
[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate has a molecular weight of 310.34 g/mol, XLogP of 0.78, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate is sourced from PubChem (CID 139923215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).