ethoxyethane;hexane-1,2,6-triol

C10H24O4 — CID 19434693

IUPACethoxyethane;hexane-1,2,6-triol
SMILESCCOCC.OCCCCC(O)CO
InChIInChI=1S/C6H14O3.C4H10O/c7-4-2-1-3-6(9)5-8;1-3-5-4-2/h6-9H,1-5H2;3-4H2,1-2H3
InChIKeyIXSYNRRBHYZYEO-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.55
Rot. Bonds7

About ethoxyethane;hexane-1,2,6-triol

ethoxyethane;hexane-1,2,6-triol (PubChem CID 19434693) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethoxyethane;hexane-1,2,6-triol.

Molecular Properties

Compound Nameethoxyethane;hexane-1,2,6-triol
PubChem CID19434693
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Nameethoxyethane;hexane-1,2,6-triol
SMILESCCOCC.OCCCCC(O)CO
InChIInChI=1S/C6H14O3.C4H10O/c7-4-2-1-3-6(9)5-8;1-3-5-4-2/h6-9H,1-5H2;3-4H2,1-2H3
InChIKeyIXSYNRRBHYZYEO-UHFFFAOYSA-N
XLogP0.55
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.55
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

hexane-1,2-diol;hexane-1,2,6-triol
CID 22728671
decane-1,10-diol;nonane-1,2-diol
CID 174889231
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
ethanesulfonic acid;octane-1,2,8-triol
CID 173057717
(5R)-heptane-1,5-diol
CID 170849468
ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
dodecane-1,2,11,12-tetrol
CID 71392430
decane-1,8-diol
CID 160857478
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
tricosane-1,2-diol
CID 42607324

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;hexane-1,2,6-triol?
The IUPAC name of ethoxyethane;hexane-1,2,6-triol (CID 19434693) is ethoxyethane;hexane-1,2,6-triol.
What is the SMILES notation for ethoxyethane;hexane-1,2,6-triol?
The canonical SMILES for ethoxyethane;hexane-1,2,6-triol is CCOCC.OCCCCC(O)CO.
What is the InChIKey of ethoxyethane;hexane-1,2,6-triol?
The InChIKey is IXSYNRRBHYZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H10O/c7-4-2-1-3-6(9)5-8;1-3-5-4-2/h6-9H,1-5H2;3-4H2,1-2H3.
What are the key properties of ethoxyethane;hexane-1,2,6-triol?
ethoxyethane;hexane-1,2,6-triol has a molecular weight of 208.30 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hexane-1,2,6-triol is sourced from PubChem (CID 19434693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).