2,5-dibutoxymorpholine

C12H25NO3 — CID 20511445

IUPAC2,5-dibutoxymorpholine
SMILESCCCCOC1COC(OCCCC)CN1
InChIInChI=1S/C12H25NO3/c1-3-5-7-14-11-10-16-12(9-13-11)15-8-6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyFAZQYRQYUWDHKL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.89
Rot. Bonds8

About 2,5-dibutoxymorpholine

2,5-dibutoxymorpholine (PubChem CID 20511445) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,5-dibutoxymorpholine.

Molecular Properties

Compound Name2,5-dibutoxymorpholine
PubChem CID20511445
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2,5-dibutoxymorpholine
SMILESCCCCOC1COC(OCCCC)CN1
InChIInChI=1S/C12H25NO3/c1-3-5-7-14-11-10-16-12(9-13-11)15-8-6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyFAZQYRQYUWDHKL-UHFFFAOYSA-N
XLogP1.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-2-butoxy-4-ethyloxolane
CID 131848104
(4R)-2-butoxy-4-methyloxolane
CID 11789482
(3R,4S,6R)-6-butoxyoxane-3,4-diol
CID 101388444
(2S,5R)-2,5-dibutoxyoxane
CID 2311827
(2S,4R)-2-butoxy-4-butyloxolane
CID 11264119
2-[9-nonyl-10-octyl-19-(oxiran-2-yloxy)nonadecoxy]oxirane
CID 178065273
4-but-1-enyl-2-butoxyoxolane
CID 85238910
2-butoxy-4-methylideneoxolane
CID 86160912
2-butoxy-4-[(2E)-penta-2,4-dien-2-yl]oxolane
CID 11790491
(2S,4S)-4-butoxy-2-ethylpyrrolidine
CID 99994451
(3R,3aR,5R,6aR)-5-butoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 132527848
2-butoxy-1,3-dioxane
CID 13152295

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutoxymorpholine?
The IUPAC name of 2,5-dibutoxymorpholine (CID 20511445) is 2,5-dibutoxymorpholine.
What is the SMILES notation for 2,5-dibutoxymorpholine?
The canonical SMILES for 2,5-dibutoxymorpholine is CCCCOC1COC(OCCCC)CN1.
What is the InChIKey of 2,5-dibutoxymorpholine?
The InChIKey is FAZQYRQYUWDHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-5-7-14-11-10-16-12(9-13-11)15-8-6-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2,5-dibutoxymorpholine?
2,5-dibutoxymorpholine has a molecular weight of 231.34 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutoxymorpholine is sourced from PubChem (CID 20511445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).