1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol

C20H46O7 — CID 118657939

IUPAC1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOCCCC.CCOCCOCCOCC.OCCOCCO
InChIInChI=1S/C8H18O3.C8H18O.C4H10O3/c1-3-9-5-7-11-8-6-10-4-2;1-3-5-7-9-8-6-4-2;5-1-3-7-4-2-6/h3-8H2,1-2H3;3-8H2,1-2H3;5-6H,1-4H2
InChIKeySLSGPKJLZPVRDG-UHFFFAOYSA-N
MW398.58 g/mol
LogP2.67
Rot. Bonds18

About 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol

1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol (PubChem CID 118657939) has the molecular formula C20H46O7 and a molecular weight of 398.58 g/mol. Its IUPAC name is 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
PubChem CID118657939
Molecular FormulaC20H46O7
Molecular Weight398.58 g/mol
Exact Mass398.32
IUPAC Name1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOCCCC.CCOCCOCCOCC.OCCOCCO
InChIInChI=1S/C8H18O3.C8H18O.C4H10O3/c1-3-9-5-7-11-8-6-10-4-2;1-3-5-7-9-8-6-4-2;5-1-3-7-4-2-6/h3-8H2,1-2H3;3-8H2,1-2H3;5-6H,1-4H2
InChIKeySLSGPKJLZPVRDG-UHFFFAOYSA-N
XLogP2.67
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174801063
2-butoxyethanol
CID 8133
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
ethane-1,2-diol;1-ethoxybutane
CID 23504299
2-butoxyethanol;molecular nitrogen
CID 86737982
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
ethane-1,2-diol;ethoxyethane;2-(2-hexoxyethoxy)ethanol
CID 87199991
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol (CID 118657939) is 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol is CCCCOCCCC.CCOCCOCCOCC.OCCOCCO.
What is the InChIKey of 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol?
The InChIKey is SLSGPKJLZPVRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C8H18O.C4H10O3/c1-3-9-5-7-11-8-6-10-4-2;1-3-5-7-9-8-6-4-2;5-1-3-7-4-2-6/h3-8H2,1-2H3;3-8H2,1-2H3;5-6H,1-4H2.
What are the key properties of 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol?
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol has a molecular weight of 398.58 g/mol, XLogP of 2.67, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 118657939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).