2,6-dibutoxyoxane

C13H26O3 — CID 524396

IUPAC2,6-dibutoxyoxane
SMILESCCCCOC1CCCC(OCCCC)O1
InChIInChI=1S/C13H26O3/c1-3-5-10-14-12-8-7-9-13(16-12)15-11-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyPLYVDYQDYJXNKA-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.47
Rot. Bonds8

About 2,6-dibutoxyoxane

2,6-dibutoxyoxane (PubChem CID 524396) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,6-dibutoxyoxane.

Molecular Properties

Compound Name2,6-dibutoxyoxane
PubChem CID524396
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2,6-dibutoxyoxane
SMILESCCCCOC1CCCC(OCCCC)O1
InChIInChI=1S/C13H26O3/c1-3-5-10-14-12-8-7-9-13(16-12)15-11-6-4-2/h12-13H,3-11H2,1-2H3
InChIKeyPLYVDYQDYJXNKA-UHFFFAOYSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pentane, 1-(1-ethoxyethoxy)-
CID 114523
1,1-Diethoxypentane
CID 77223
Tetrahydro-2-(2-propynyloxy)-2H-pyran
CID 98609
Valeraldehyde dibutyl acetal
CID 22011445
1-(1-Ethoxybutoxy)pentane
CID 53422437
2-Methoxytetrahydropyran
CID 23057
1,3,5-Trioxane, 2,4,6-tripropyl-
CID 75453
2,6-Diethoxytetrahydropyran
CID 261532
1,1'-(Ethylidenebis(oxy))bispentane
CID 83035
Tetrahydro-2-(2-methylpropoxy)-2H-pyran
CID 98296
2-Ethoxyoxane
CID 256818
2H-Pyran, tetrahydro-2,6-dimethoxy-
CID 110907

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutoxyoxane?
The IUPAC name of 2,6-dibutoxyoxane (CID 524396) is 2,6-dibutoxyoxane.
What is the SMILES notation for 2,6-dibutoxyoxane?
The canonical SMILES for 2,6-dibutoxyoxane is CCCCOC1CCCC(OCCCC)O1.
What is the InChIKey of 2,6-dibutoxyoxane?
The InChIKey is PLYVDYQDYJXNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-5-10-14-12-8-7-9-13(16-12)15-11-6-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 2,6-dibutoxyoxane?
2,6-dibutoxyoxane has a molecular weight of 230.35 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutoxyoxane is sourced from PubChem (CID 524396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).