4-ethoxynonane-1,2,3-triol

C11H24O4 — CID 174961473

IUPAC4-ethoxynonane-1,2,3-triol
SMILESCCCCCC(OCC)C(O)C(O)CO
InChIInChI=1S/C11H24O4/c1-3-5-6-7-10(15-4-2)11(14)9(13)8-12/h9-14H,3-8H2,1-2H3
InChIKeyZACSHHKUPCJSGM-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.69
Rot. Bonds9

About 4-ethoxynonane-1,2,3-triol

4-ethoxynonane-1,2,3-triol (PubChem CID 174961473) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-ethoxynonane-1,2,3-triol.

Molecular Properties

Compound Name4-ethoxynonane-1,2,3-triol
PubChem CID174961473
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name4-ethoxynonane-1,2,3-triol
SMILESCCCCCC(OCC)C(O)C(O)CO
InChIInChI=1S/C11H24O4/c1-3-5-6-7-10(15-4-2)11(14)9(13)8-12/h9-14H,3-8H2,1-2H3
InChIKeyZACSHHKUPCJSGM-UHFFFAOYSA-N
XLogP0.69
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-ethoxydodecan-5-ol
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4-pentyldodecane-1,2,3-triol
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(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol
CID 154036897
(2R,3R)-12-methyl-4-(8-methylnonoxy)tridecane-1,2,3-triol
CID 91120456
3-ethoxy-2-methyldodecane
CID 78302637
(2S,3S)-decane-1,2,3-triol
CID 12619492
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
(2R,3R)-undecane-1,2,3-triol
CID 15641124
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Frequently Asked Questions

What is the IUPAC name of 4-ethoxynonane-1,2,3-triol?
The IUPAC name of 4-ethoxynonane-1,2,3-triol (CID 174961473) is 4-ethoxynonane-1,2,3-triol.
What is the SMILES notation for 4-ethoxynonane-1,2,3-triol?
The canonical SMILES for 4-ethoxynonane-1,2,3-triol is CCCCCC(OCC)C(O)C(O)CO.
What is the InChIKey of 4-ethoxynonane-1,2,3-triol?
The InChIKey is ZACSHHKUPCJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-3-5-6-7-10(15-4-2)11(14)9(13)8-12/h9-14H,3-8H2,1-2H3.
What are the key properties of 4-ethoxynonane-1,2,3-triol?
4-ethoxynonane-1,2,3-triol has a molecular weight of 220.31 g/mol, XLogP of 0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxynonane-1,2,3-triol is sourced from PubChem (CID 174961473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).