1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol

C16H38O6 — CID 87464396

IUPAC1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOCCCC.COCCOC.OCCOCCO
InChIInChI=1S/C8H18O.C4H10O3.C4H10O2/c1-3-5-7-9-8-6-4-2;5-1-3-7-4-2-6;1-5-3-4-6-2/h3-8H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3
InChIKeyGWIRJNPVDDQRRL-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.87
Rot. Bonds13

About 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol

1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol (PubChem CID 87464396) has the molecular formula C16H38O6 and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
PubChem CID87464396
Molecular FormulaC16H38O6
Molecular Weight326.47 g/mol
Exact Mass326.27
IUPAC Name1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOCCCC.COCCOC.OCCOCCO
InChIInChI=1S/C8H18O.C4H10O3.C4H10O2/c1-3-5-7-9-8-6-4-2;5-1-3-7-4-2-6;1-5-3-4-6-2/h3-8H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3
InChIKeyGWIRJNPVDDQRRL-UHFFFAOYSA-N
XLogP1.87
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethanol
CID 8133
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452
1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
CID 175360949
2-butoxyethanol;2-methoxyethanol;bis(prop-1-ene)
CID 173295761
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;molecular nitrogen
CID 86737982
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol (CID 87464396) is 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol is CCCCOCCCC.COCCOC.OCCOCCO.
What is the InChIKey of 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol?
The InChIKey is GWIRJNPVDDQRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C4H10O3.C4H10O2/c1-3-5-7-9-8-6-4-2;5-1-3-7-4-2-6;1-5-3-4-6-2/h3-8H2,1-2H3;5-6H,1-4H2;3-4H2,1-2H3.
What are the key properties of 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol?
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol has a molecular weight of 326.47 g/mol, XLogP of 1.87, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 87464396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).