2-(1,2-dibutoxyethoxy)ethyl formate

C13H26O5 — CID 57319136

IUPAC2-(1,2-dibutoxyethoxy)ethyl formate
SMILESCCCCOCC(OCCCC)OCCOC=O
InChIInChI=1S/C13H26O5/c1-3-5-7-15-11-13(17-8-6-4-2)18-10-9-16-12-14/h12-13H,3-11H2,1-2H3
InChIKeyZKPBTIJLUUXWPD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.14
Rot. Bonds14

About 2-(1,2-dibutoxyethoxy)ethyl formate

2-(1,2-dibutoxyethoxy)ethyl formate (PubChem CID 57319136) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(1,2-dibutoxyethoxy)ethyl formate.

Molecular Properties

Compound Name2-(1,2-dibutoxyethoxy)ethyl formate
PubChem CID57319136
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2-(1,2-dibutoxyethoxy)ethyl formate
SMILESCCCCOCC(OCCCC)OCCOC=O
InChIInChI=1S/C13H26O5/c1-3-5-7-15-11-13(17-8-6-4-2)18-10-9-16-12-14/h12-13H,3-11H2,1-2H3
InChIKeyZKPBTIJLUUXWPD-UHFFFAOYSA-N
XLogP2.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dibutoxyethoxy)ethanol
CID 57055160
bis[2-(1,2-dibutoxyethoxy)ethyl] decanedioate
CID 57217693
2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406
bis(1,2-dibutoxyethyl) decanedioate
CID 174729483
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
CID 139655550
hexacosyl formate
CID 87446465
1,2-dibutoxyhexane
CID 19805858
3-ethylheptyl formate
CID 174415857
1-pentoxypropan-2-yl formate
CID 54282831
1-(1,2-diethoxyethoxy)hexane
CID 173222858
1,1,4,4-tetrabutoxybutane
CID 139887225
1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane
CID 154103874

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dibutoxyethoxy)ethyl formate?
The IUPAC name of 2-(1,2-dibutoxyethoxy)ethyl formate (CID 57319136) is 2-(1,2-dibutoxyethoxy)ethyl formate.
What is the SMILES notation for 2-(1,2-dibutoxyethoxy)ethyl formate?
The canonical SMILES for 2-(1,2-dibutoxyethoxy)ethyl formate is CCCCOCC(OCCCC)OCCOC=O.
What is the InChIKey of 2-(1,2-dibutoxyethoxy)ethyl formate?
The InChIKey is ZKPBTIJLUUXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-3-5-7-15-11-13(17-8-6-4-2)18-10-9-16-12-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1,2-dibutoxyethoxy)ethyl formate?
2-(1,2-dibutoxyethoxy)ethyl formate has a molecular weight of 262.35 g/mol, XLogP of 2.14, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dibutoxyethoxy)ethyl formate is sourced from PubChem (CID 57319136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).