2-butoxyethanol

C6H14O2 — CID 8133

IUPAC2-butoxyethanol
SMILESCCCCOCCO
InChIInChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKeyPOAOYUHQDCAZBD-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.80
Rot. Bonds5

About 2-butoxyethanol

2-butoxyethanol (PubChem CID 8133) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-butoxyethanol.

Molecular Properties

Compound Name2-butoxyethanol
PubChem CID8133
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name2-butoxyethanol
SMILESCCCCOCCO
InChIInChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
InChIKeyPOAOYUHQDCAZBD-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;molecular nitrogen
CID 86737982
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
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
1-butoxybutane;1-ethoxy-2-(2-ethoxyethoxy)ethane;2-(2-hydroxyethoxy)ethanol
CID 118657939
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
sodium;2-butoxyethanol;perchlorate
CID 160950535
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491
2-dodecoxyethanol
CID 24750

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethanol?
The IUPAC name of 2-butoxyethanol (CID 8133) is 2-butoxyethanol.
What is the SMILES notation for 2-butoxyethanol?
The canonical SMILES for 2-butoxyethanol is CCCCOCCO.
What is the InChIKey of 2-butoxyethanol?
The InChIKey is POAOYUHQDCAZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3.
What are the key properties of 2-butoxyethanol?
2-butoxyethanol has a molecular weight of 118.18 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethanol is sourced from PubChem (CID 8133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).