1-(1-butoxyethoxy)-1-ethoxyethanol

C10H22O4 — CID 174788322

IUPAC1-(1-butoxyethoxy)-1-ethoxyethanol
SMILESCCCCOC(C)OC(C)(O)OCC
InChIInChI=1S/C10H22O4/c1-5-7-8-12-9(3)14-10(4,11)13-6-2/h9,11H,5-8H2,1-4H3
InChIKeyNPJJEBVANRWHHD-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.87
Rot. Bonds8

About 1-(1-butoxyethoxy)-1-ethoxyethanol

1-(1-butoxyethoxy)-1-ethoxyethanol (PubChem CID 174788322) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(1-butoxyethoxy)-1-ethoxyethanol.

Molecular Properties

Compound Name1-(1-butoxyethoxy)-1-ethoxyethanol
PubChem CID174788322
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-(1-butoxyethoxy)-1-ethoxyethanol
SMILESCCCCOC(C)OC(C)(O)OCC
InChIInChI=1S/C10H22O4/c1-5-7-8-12-9(3)14-10(4,11)13-6-2/h9,11H,5-8H2,1-4H3
InChIKeyNPJJEBVANRWHHD-UHFFFAOYSA-N
XLogP1.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
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

1-ethoxy-1-(1-sulfanylethoxy)ethanol
CID 139775425
2-(1-butoxyethoxy)-1,1,2,3,3,4,4,5,5,5-decafluoropentan-1-ol
CID 18995413
1-butoxyethoxymethanol
CID 19047949
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
1-(1-butoxyethoxy)-2-methylbutane
CID 90476041
6-[1,1-bis(1-butoxyethoxy)ethoxy]-6-oxohexanoic acid
CID 87391437
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
2-(1-butoxyethoxy)ethanol;pentan-1-ol
CID 88518213
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
2-ethoxy-3-(3-methoxypropoxy)butan-2-ol
CID 174731703

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxyethoxy)-1-ethoxyethanol?
The IUPAC name of 1-(1-butoxyethoxy)-1-ethoxyethanol (CID 174788322) is 1-(1-butoxyethoxy)-1-ethoxyethanol.
What is the SMILES notation for 1-(1-butoxyethoxy)-1-ethoxyethanol?
The canonical SMILES for 1-(1-butoxyethoxy)-1-ethoxyethanol is CCCCOC(C)OC(C)(O)OCC.
What is the InChIKey of 1-(1-butoxyethoxy)-1-ethoxyethanol?
The InChIKey is NPJJEBVANRWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-5-7-8-12-9(3)14-10(4,11)13-6-2/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-(1-butoxyethoxy)-1-ethoxyethanol?
1-(1-butoxyethoxy)-1-ethoxyethanol has a molecular weight of 206.28 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethoxy)-1-ethoxyethanol is sourced from PubChem (CID 174788322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).