1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane

C14H30O5 — CID 150976644

IUPAC1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
SMILESCCCCOCCOCC(OCC)(OCC)OCC
InChIInChI=1S/C14H30O5/c1-5-9-10-15-11-12-16-13-14(17-6-2,18-7-3)19-8-4/h5-13H2,1-4H3
InChIKeyLPFQAHQCYMJTIW-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.58
Rot. Bonds14

About 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane

1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane (PubChem CID 150976644) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
PubChem CID150976644
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
SMILESCCCCOCCOCC(OCC)(OCC)OCC
InChIInChI=1S/C14H30O5/c1-5-9-10-15-11-12-16-13-14(17-6-2,18-7-3)19-8-4/h5-13H2,1-4H3
InChIKeyLPFQAHQCYMJTIW-UHFFFAOYSA-N
XLogP2.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-(2,2,2-triethoxyethoxy)propane
CID 10751414
6-[2-(2,2-dibutoxy-2-ethoxyethoxy)ethoxy]-6-oxohexanoic acid
CID 87209999
alumane;2-[2-(2,2,2-tributoxyethoxy)ethoxy]acetaldehyde
CID 173456686
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
ethane;1-(2-propoxyethoxy)butane
CID 164535746
aluminum;1-butoxybutane;hydride
CID 174684135
1-butoxybutane;methoxymethane
CID 18401298
2-(2-butoxyethoxy)-1,1,2,2-tetrafluoroethanol
CID 18995460
(1,1,2-Tributoxyethyl)silane
CID 76522121
1,1,2-tributoxyethanol
CID 3022905
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane?
The IUPAC name of 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane (CID 150976644) is 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane.
What is the SMILES notation for 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane?
The canonical SMILES for 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane is CCCCOCCOCC(OCC)(OCC)OCC.
What is the InChIKey of 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane?
The InChIKey is LPFQAHQCYMJTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5/c1-5-9-10-15-11-12-16-13-14(17-6-2,18-7-3)19-8-4/h5-13H2,1-4H3.
What are the key properties of 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane?
1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane has a molecular weight of 278.39 g/mol, XLogP of 2.58, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane is sourced from PubChem (CID 150976644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).