1,1,2-triethoxypentan-1-ol

C11H24O4 — CID 87881189

IUPAC1,1,2-triethoxypentan-1-ol
SMILESCCCC(OCC)C(O)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-5-9-10(13-6-2)11(12,14-7-3)15-8-4/h10,12H,5-9H2,1-4H3
InChIKeyXAIHLODEOJRGMH-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.91
Rot. Bonds9

About 1,1,2-triethoxypentan-1-ol

1,1,2-triethoxypentan-1-ol (PubChem CID 87881189) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,1,2-triethoxypentan-1-ol.

Molecular Properties

Compound Name1,1,2-triethoxypentan-1-ol
PubChem CID87881189
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1,1,2-triethoxypentan-1-ol
SMILESCCCC(OCC)C(O)(OCC)OCC
InChIInChI=1S/C11H24O4/c1-5-9-10(13-6-2)11(12,14-7-3)15-8-4/h10,12H,5-9H2,1-4H3
InChIKeyXAIHLODEOJRGMH-UHFFFAOYSA-N
XLogP1.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

titanium;1,1,2-triheptoxyheptan-1-ol
CID 88526182
ethane;3-methoxy-2-methylhexan-2-ol
CID 171072389
2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol
CID 23185217
5-butyl-5,6-diethoxytetradecane
CID 150193114
7,8-diethoxy-7-hexylhexadecane
CID 151716164
1,1,2-triethoxyheptoxycarbonyloxy 1,1,2-triethoxyheptyl carbonate
CID 88505275
1,1-diethoxy-2-(3-sulfanylpropyl)decan-1-ol
CID 150178419
(2-hydroxy-2-methylhexan-3-yl) acetate
CID 140977252
(3-chloro-1,1,2-triethoxypropyl)silane
CID 174751331
(3-bromo-1,1,2-triethoxypropyl)silane
CID 123303105
2-(1-ethoxypropyl)-2-(hydroxymethyl)propane-1,3-diol
CID 18426421
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triethoxypentan-1-ol?
The IUPAC name of 1,1,2-triethoxypentan-1-ol (CID 87881189) is 1,1,2-triethoxypentan-1-ol.
What is the SMILES notation for 1,1,2-triethoxypentan-1-ol?
The canonical SMILES for 1,1,2-triethoxypentan-1-ol is CCCC(OCC)C(O)(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxypentan-1-ol?
The InChIKey is XAIHLODEOJRGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-5-9-10(13-6-2)11(12,14-7-3)15-8-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1,1,2-triethoxypentan-1-ol?
1,1,2-triethoxypentan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxypentan-1-ol is sourced from PubChem (CID 87881189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).