2-butoxy-1,3-dioxane

C8H16O3 — CID 13152295

IUPAC2-butoxy-1,3-dioxane
SMILESCCCCOC1OCCCO1
InChIInChI=1S/C8H16O3/c1-2-3-5-9-8-10-6-4-7-11-8/h8H,2-7H2,1H3
InChIKeyMEGATJJUPGXXDA-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds4

About 2-butoxy-1,3-dioxane

2-butoxy-1,3-dioxane (PubChem CID 13152295) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-butoxy-1,3-dioxane.

Molecular Properties

Compound Name2-butoxy-1,3-dioxane
PubChem CID13152295
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-butoxy-1,3-dioxane
SMILESCCCCOC1OCCCO1
InChIInChI=1S/C8H16O3/c1-2-3-5-9-8-10-6-4-7-11-8/h8H,2-7H2,1H3
InChIKeyMEGATJJUPGXXDA-UHFFFAOYSA-N
XLogP1.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
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

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2-octacosoxyoxane
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3-(1,3-dioxan-2-yloxy)propanal
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4-(1,3-dioxolan-2-yloxy)butan-1-ol
CID 23298944
butoxycyclobutane
CID 54057236
1,2-dibutoxycyclohexane
CID 24962665
(2R)-2-decoxyoxan-3-ol
CID 164930030
2-butoxy-2H-pyran-5-one
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2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
3-bromo-4-butoxyoxolane
CID 114772096

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,3-dioxane?
The IUPAC name of 2-butoxy-1,3-dioxane (CID 13152295) is 2-butoxy-1,3-dioxane.
What is the SMILES notation for 2-butoxy-1,3-dioxane?
The canonical SMILES for 2-butoxy-1,3-dioxane is CCCCOC1OCCCO1.
What is the InChIKey of 2-butoxy-1,3-dioxane?
The InChIKey is MEGATJJUPGXXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-3-5-9-8-10-6-4-7-11-8/h8H,2-7H2,1H3.
What are the key properties of 2-butoxy-1,3-dioxane?
2-butoxy-1,3-dioxane has a molecular weight of 160.21 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3-dioxane is sourced from PubChem (CID 13152295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).