2-(1-butoxyethoxy)ethanol;pentan-1-ol

C13H30O4 — CID 88518213

IUPAC2-(1-butoxyethoxy)ethanol;pentan-1-ol
SMILESCCCCCO.CCCCOC(C)OCCO
InChIInChI=1S/C8H18O3.C5H12O/c1-3-4-6-10-8(2)11-7-5-9;1-2-3-4-5-6/h8-9H,3-7H2,1-2H3;6H,2-5H2,1H3
InChIKeyOHWHKBIVUGLDDF-UHFFFAOYSA-N
MW250.38 g/mol
LogP2.33
Rot. Bonds10

About 2-(1-butoxyethoxy)ethanol;pentan-1-ol

2-(1-butoxyethoxy)ethanol;pentan-1-ol (PubChem CID 88518213) has the molecular formula C13H30O4 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(1-butoxyethoxy)ethanol;pentan-1-ol.

Molecular Properties

Compound Name2-(1-butoxyethoxy)ethanol;pentan-1-ol
PubChem CID88518213
Molecular FormulaC13H30O4
Molecular Weight250.38 g/mol
Exact Mass250.21
IUPAC Name2-(1-butoxyethoxy)ethanol;pentan-1-ol
SMILESCCCCCO.CCCCOC(C)OCCO
InChIInChI=1S/C8H18O3.C5H12O/c1-3-4-6-10-8(2)11-7-5-9;1-2-3-4-5-6/h8-9H,3-7H2,1-2H3;6H,2-5H2,1H3
InChIKeyOHWHKBIVUGLDDF-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(1-butoxyethoxy)propan-1-ol
CID 54457983
1-butoxyethoxymethanol
CID 19047949
12-butoxyoctadecan-1-ol
CID 139752074
2-butoxyethanol;2-(1-butoxyethoxy)ethanol;1-butoxy-1-ethoxypropan-2-ol;2-ethoxyethanol
CID 173364983
hexan-1-ol;2-methylpropane
CID 159802705
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
2-(2-hydroxyethoxy)ethanol;octan-1-ol
CID 155256848
1-ethoxyethanol;pentan-1-ol
CID 160817042
1-butoxyoctane-1,8-diol
CID 87774765
2-(1,2-dibutoxyethoxy)ethanol
CID 57055160

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxyethoxy)ethanol;pentan-1-ol?
The IUPAC name of 2-(1-butoxyethoxy)ethanol;pentan-1-ol (CID 88518213) is 2-(1-butoxyethoxy)ethanol;pentan-1-ol.
What is the SMILES notation for 2-(1-butoxyethoxy)ethanol;pentan-1-ol?
The canonical SMILES for 2-(1-butoxyethoxy)ethanol;pentan-1-ol is CCCCCO.CCCCOC(C)OCCO.
What is the InChIKey of 2-(1-butoxyethoxy)ethanol;pentan-1-ol?
The InChIKey is OHWHKBIVUGLDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.C5H12O/c1-3-4-6-10-8(2)11-7-5-9;1-2-3-4-5-6/h8-9H,3-7H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of 2-(1-butoxyethoxy)ethanol;pentan-1-ol?
2-(1-butoxyethoxy)ethanol;pentan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxyethoxy)ethanol;pentan-1-ol is sourced from PubChem (CID 88518213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).