6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane

C13H24O3 — CID 18338399

IUPAC6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane
SMILESCCC(C)OCCOC1C(C)OC12CC2C
InChIInChI=1S/C13H24O3/c1-5-10(3)14-6-7-15-12-11(4)16-13(12)8-9(13)2/h9-12H,5-8H2,1-4H3
InChIKeySGUXOBLABWVKKA-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.38
Rot. Bonds6

About 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane

6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane (PubChem CID 18338399) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane.

Molecular Properties

Compound Name6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane
PubChem CID18338399
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane
SMILESCCC(C)OCCOC1C(C)OC12CC2C
InChIInChI=1S/C13H24O3/c1-5-10(3)14-6-7-15-12-11(4)16-13(12)8-9(13)2/h9-12H,5-8H2,1-4H3
InChIKeySGUXOBLABWVKKA-UHFFFAOYSA-N
XLogP2.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.38
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

2-Ethylhexyl glycidyl ether
CID 17162
2-Butan-2-yl-3-methoxyoxetane
CID 124021981
2-(2-Methoxybutan-2-yl)oxetane
CID 175476646
2-(2-Ethylhexoxymethyl)oxetane
CID 17833095
2-[1-(2-Ethylhexoxy)ethyl]oxirane
CID 20304858
2-(Methoxymethyl)-3-propyloxetane
CID 22160817
2-Methyl-6-(2-methylpropoxy)-4-oxaspiro[2.3]hexane
CID 22887390
(2R)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688279
(2R)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane
CID 36688280
(2S)-2-[[(2R)-2-ethylhexoxy]methyl]oxirane
CID 36688281
(2S)-2-[[(2S)-2-ethylhexoxy]methyl]oxirane
CID 36688282
2,3-Diethoxy-3,4-dimethylheptane
CID 58224448

Frequently Asked Questions

What is the IUPAC name of 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane?
The IUPAC name of 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane (CID 18338399) is 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane.
What is the SMILES notation for 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane?
The canonical SMILES for 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane is CCC(C)OCCOC1C(C)OC12CC2C.
What is the InChIKey of 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane?
The InChIKey is SGUXOBLABWVKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-10(3)14-6-7-15-12-11(4)16-13(12)8-9(13)2/h9-12H,5-8H2,1-4H3.
What are the key properties of 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane?
6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane has a molecular weight of 228.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butan-2-yloxyethoxy)-2,5-dimethyl-4-oxaspiro[2.3]hexane is sourced from PubChem (CID 18338399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).