ethoxyethane;pentane-1,2,3-triol

C9H22O4 — CID 87302258

IUPACethoxyethane;pentane-1,2,3-triol
SMILESCCC(O)C(O)CO.CCOCC
InChIInChI=1S/C5H12O3.C4H10O/c1-2-4(7)5(8)3-6;1-3-5-4-2/h4-8H,2-3H2,1H3;3-4H2,1-2H3
InChIKeyYISJMNFFJDNKPD-UHFFFAOYSA-N
MW194.27 g/mol
LogP0.15
Rot. Bonds5

About ethoxyethane;pentane-1,2,3-triol

ethoxyethane;pentane-1,2,3-triol (PubChem CID 87302258) has the molecular formula C9H22O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethoxyethane;pentane-1,2,3-triol.

Molecular Properties

Compound Nameethoxyethane;pentane-1,2,3-triol
PubChem CID87302258
Molecular FormulaC9H22O4
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Nameethoxyethane;pentane-1,2,3-triol
SMILESCCC(O)C(O)CO.CCOCC
InChIInChI=1S/C5H12O3.C4H10O/c1-2-4(7)5(8)3-6;1-3-5-4-2/h4-8H,2-3H2,1H3;3-4H2,1-2H3
InChIKeyYISJMNFFJDNKPD-UHFFFAOYSA-N
XLogP0.15
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
butane;butane-1,2,3,4-tetrol
CID 155273073
heptane-1,2,3,4,5-pentol
CID 21365644
2,2-dichloroethanol;ethoxyethane
CID 22662862
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
chloroform;ethanol;ethoxyethane
CID 87752781
ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;pentane-1,2,3-triol?
The IUPAC name of ethoxyethane;pentane-1,2,3-triol (CID 87302258) is ethoxyethane;pentane-1,2,3-triol.
What is the SMILES notation for ethoxyethane;pentane-1,2,3-triol?
The canonical SMILES for ethoxyethane;pentane-1,2,3-triol is CCC(O)C(O)CO.CCOCC.
What is the InChIKey of ethoxyethane;pentane-1,2,3-triol?
The InChIKey is YISJMNFFJDNKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3.C4H10O/c1-2-4(7)5(8)3-6;1-3-5-4-2/h4-8H,2-3H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;pentane-1,2,3-triol?
ethoxyethane;pentane-1,2,3-triol has a molecular weight of 194.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;pentane-1,2,3-triol is sourced from PubChem (CID 87302258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).