2-butoxyethanol;2-butoxypropan-1-ol

C13H30O4 — CID 162121003

IUPAC2-butoxyethanol;2-butoxypropan-1-ol
SMILESCCCCOC(C)CO.CCCCOCCO
InChIInChI=1S/C7H16O2.C6H14O2/c1-3-4-5-9-7(2)6-8;1-2-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3
InChIKeyZHKCTFFVGHGPPU-UHFFFAOYSA-N
MW250.38 g/mol
LogP1.98
Rot. Bonds10

About 2-butoxyethanol;2-butoxypropan-1-ol

2-butoxyethanol;2-butoxypropan-1-ol (PubChem CID 162121003) has the molecular formula C13H30O4 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-butoxyethanol;2-butoxypropan-1-ol.

Molecular Properties

Compound Name2-butoxyethanol;2-butoxypropan-1-ol
PubChem CID162121003
Molecular FormulaC13H30O4
Molecular Weight250.38 g/mol
Exact Mass250.21
IUPAC Name2-butoxyethanol;2-butoxypropan-1-ol
SMILESCCCCOC(C)CO.CCCCOCCO
InChIInChI=1S/C7H16O2.C6H14O2/c1-3-4-5-9-7(2)6-8;1-2-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3
InChIKeyZHKCTFFVGHGPPU-UHFFFAOYSA-N
XLogP1.98
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethanol
CID 8133
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 175740296
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
methane;2-octadecoxypropan-1-ol
CID 178185801
butan-2-ol;2-butoxyethanol
CID 118377400
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-butoxyethanol;molecular nitrogen
CID 86737982
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
CID 159075301
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;2-butoxypropan-1-ol?
The IUPAC name of 2-butoxyethanol;2-butoxypropan-1-ol (CID 162121003) is 2-butoxyethanol;2-butoxypropan-1-ol.
What is the SMILES notation for 2-butoxyethanol;2-butoxypropan-1-ol?
The canonical SMILES for 2-butoxyethanol;2-butoxypropan-1-ol is CCCCOC(C)CO.CCCCOCCO.
What is the InChIKey of 2-butoxyethanol;2-butoxypropan-1-ol?
The InChIKey is ZHKCTFFVGHGPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C6H14O2/c1-3-4-5-9-7(2)6-8;1-2-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3;7H,2-6H2,1H3.
What are the key properties of 2-butoxyethanol;2-butoxypropan-1-ol?
2-butoxyethanol;2-butoxypropan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;2-butoxypropan-1-ol is sourced from PubChem (CID 162121003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).