2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol

C27H62O10 — CID 173364983

IUPAC2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol
SMILESCCCCOC(C)OCCO.CCCCOC(OCC)C(C)O.CCCCOCCO.CCOCCO
InChIInChI=1S/C9H20O3.C8H18O3.C6H14O2.C4H10O2/c1-4-6-7-12-9(8(3)10)11-5-2;1-3-4-6-10-8(2)11-7-5-9;1-2-3-5-8-6-4-7;1-2-6-4-3-5/h8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,2-6H2,1H3;5H,2-4H2,1H3
InChIKeySTGULWSUOOOHCP-UHFFFAOYSA-N
MW546.78 g/mol
LogP3.52
Rot. Bonds22

About 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol

2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol (PubChem CID 173364983) has the molecular formula C27H62O10 and a molecular weight of 546.78 g/mol. Its IUPAC name is 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol.

Molecular Properties

Compound Name2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol
PubChem CID173364983
Molecular FormulaC27H62O10
Molecular Weight546.78 g/mol
Exact Mass546.43
IUPAC Name2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol
SMILESCCCCOC(C)OCCO.CCCCOC(OCC)C(C)O.CCCCOCCO.CCOCCO
InChIInChI=1S/C9H20O3.C8H18O3.C6H14O2.C4H10O2/c1-4-6-7-12-9(8(3)10)11-5-2;1-3-4-6-10-8(2)11-7-5-9;1-2-3-5-8-6-4-7;1-2-6-4-3-5/h8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,2-6H2,1H3;5H,2-4H2,1H3
InChIKeySTGULWSUOOOHCP-UHFFFAOYSA-N
XLogP3.52
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.78
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
2-(1-butoxyethoxy)ethanol;pentan-1-ol
CID 88518213
2-butoxyethanol;tris(propan-2-ol);titanium
CID 162429668
butan-2-ol;2-butoxyethanol
CID 118377400
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
2-butoxyethanol
CID 8133
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
butane-2,3-diol;1-butoxybutane
CID 87169993
ethane-1,2-diol;1-ethoxybutane
CID 23504299
1-butoxyethoxymethanol
CID 19047949
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
sodium;2-butoxyethanol;perchlorate
CID 160950535

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol?
The IUPAC name of 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol (CID 173364983) is 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol.
What is the SMILES notation for 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol?
The canonical SMILES for 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol is CCCCOC(C)OCCO.CCCCOC(OCC)C(C)O.CCCCOCCO.CCOCCO.
What is the InChIKey of 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol?
The InChIKey is STGULWSUOOOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3.C8H18O3.C6H14O2.C4H10O2/c1-4-6-7-12-9(8(3)10)11-5-2;1-3-4-6-10-8(2)11-7-5-9;1-2-3-5-8-6-4-7;1-2-6-4-3-5/h8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7H,2-6H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol?
2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol has a molecular weight of 546.78 g/mol, XLogP of 3.52, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol is sourced from PubChem (CID 173364983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).