2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate

C13H26O7 — CID 87841701

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
SMILESCCCCOCCOCCOCCOCCOC(=O)O
InChIInChI=1S/C13H26O7/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyVGKBDVIIMQQVAP-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.55
Rot. Bonds15

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate (PubChem CID 87841701) has the molecular formula C13H26O7 and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
PubChem CID87841701
Molecular FormulaC13H26O7
Molecular Weight294.34 g/mol
Exact Mass294.17
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
SMILESCCCCOCCOCCOCCOCCOC(=O)O
InChIInChI=1S/C13H26O7/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKeyVGKBDVIIMQQVAP-UHFFFAOYSA-N
XLogP1.55
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl hydrogen carbonate
CID 157271096
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
calcium;butyl hydrogen carbonate;hydride
CID 173385932
disodium;butyl hydrogen carbonate;hydride
CID 174632839
3-(2-butoxyethoxy)butyl hydrogen carbonate
CID 139923297
acetic acid;1-butoxybutane
CID 22256220
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-butoxyethyl 2-aminoacetate
CID 61304060

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate (CID 87841701) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate is CCCCOCCOCCOCCOCCOC(=O)O.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate?
The InChIKey is VGKBDVIIMQQVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O7/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-13(14)15/h2-12H2,1H3,(H,14,15).
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate has a molecular weight of 294.34 g/mol, XLogP of 1.55, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate is sourced from PubChem (CID 87841701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).