2,2-diethoxy-2-pentoxyethanol

C11H24O4 — CID 174807386

IUPAC2,2-diethoxy-2-pentoxyethanol
SMILESCCCCCOC(CO)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-4-7-8-9-15-11(10-12,13-5-2)14-6-3/h12H,4-10H2,1-3H3
InChIKeyVNJLIVUJRMMOIX-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.91
Rot. Bonds10

About 2,2-diethoxy-2-pentoxyethanol

2,2-diethoxy-2-pentoxyethanol (PubChem CID 174807386) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,2-diethoxy-2-pentoxyethanol.

Molecular Properties

Compound Name2,2-diethoxy-2-pentoxyethanol
PubChem CID174807386
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name2,2-diethoxy-2-pentoxyethanol
SMILESCCCCCOC(CO)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-4-7-8-9-15-11(10-12,13-5-2)14-6-3/h12H,4-10H2,1-3H3
InChIKeyVNJLIVUJRMMOIX-UHFFFAOYSA-N
XLogP1.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.91
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

hafnium;2,2,2-tributoxyethanol
CID 175773541
2-hexoxypropane-1,2-diol
CID 87299743
2-decoxy-2-methylbutan-1-ol
CID 152517276
carbanide;2,2-diheptoxypropan-1-ol;yttrium
CID 58517147
ruthenium;1,1,1-triethoxydecane
CID 157324278
2,2-dibutoxypropan-1-ol
CID 145497919
2-(hydroxymethyl)-2-(tridecoxymethyl)propane-1,3-diol
CID 22035112
1-heptoxy-1-hexoxy-9-octylperoxy-1-pentoxynonane
CID 141003056
CID 177243873
CID 177243873
9-heptoxy-9-methylhenicosane
CID 91127088
azane;2-dodecoxypropan-2-ol
CID 87960511
1,1-di(undecoxy)propyl dihydrogen phosphate
CID 18935116

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-2-pentoxyethanol?
The IUPAC name of 2,2-diethoxy-2-pentoxyethanol (CID 174807386) is 2,2-diethoxy-2-pentoxyethanol.
What is the SMILES notation for 2,2-diethoxy-2-pentoxyethanol?
The canonical SMILES for 2,2-diethoxy-2-pentoxyethanol is CCCCCOC(CO)(OCC)OCC.
What is the InChIKey of 2,2-diethoxy-2-pentoxyethanol?
The InChIKey is VNJLIVUJRMMOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-4-7-8-9-15-11(10-12,13-5-2)14-6-3/h12H,4-10H2,1-3H3.
What are the key properties of 2,2-diethoxy-2-pentoxyethanol?
2,2-diethoxy-2-pentoxyethanol has a molecular weight of 220.31 g/mol, XLogP of 1.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-2-pentoxyethanol is sourced from PubChem (CID 174807386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).