dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane

C22H50O6 — CID 173341156

IUPACdodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
SMILESCCCCCCCCCCCCOC(C)=O.CCO.CCOCC.OCCO
InChIInChI=1S/C14H28O2.C4H10O.C2H6O2.C2H6O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15;1-3-5-4-2;3-1-2-4;1-2-3/h3-13H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2;3H,2H2,1H3
InChIKeyUILDKSZEXUNWIX-UHFFFAOYSA-N
MW410.64 g/mol
LogP4.48
Rot. Bonds14

About dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane

dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane (PubChem CID 173341156) has the molecular formula C22H50O6 and a molecular weight of 410.64 g/mol. Its IUPAC name is dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane.

Molecular Properties

Compound Namedodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
PubChem CID173341156
Molecular FormulaC22H50O6
Molecular Weight410.64 g/mol
Exact Mass410.36
IUPAC Namedodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
SMILESCCCCCCCCCCCCOC(C)=O.CCO.CCOCC.OCCO
InChIInChI=1S/C14H28O2.C4H10O.C2H6O2.C2H6O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15;1-3-5-4-2;3-1-2-4;1-2-3/h3-13H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2;3H,2H2,1H3
InChIKeyUILDKSZEXUNWIX-UHFFFAOYSA-N
XLogP4.48
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.64
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 173003684
ethane-1,2-diol;ethoxyethane;propyl acetate
CID 87069783
decyl acetate;ethyl acetate
CID 158679657
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CID 174832794
azane;tetradecyl acetate
CID 87432458
CID 162323537
CID 162323537
butyl acetate;2-ethoxyethanol
CID 87069038
3-octoxypropyl acetate
CID 21272964
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CID 87556300

Frequently Asked Questions

What is the IUPAC name of dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane?
The IUPAC name of dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane (CID 173341156) is dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane.
What is the SMILES notation for dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane?
The canonical SMILES for dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane is CCCCCCCCCCCCOC(C)=O.CCO.CCOCC.OCCO.
What is the InChIKey of dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane?
The InChIKey is UILDKSZEXUNWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C4H10O.C2H6O2.C2H6O/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15;1-3-5-4-2;3-1-2-4;1-2-3/h3-13H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2;3H,2H2,1H3.
What are the key properties of dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane?
dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane has a molecular weight of 410.64 g/mol, XLogP of 4.48, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane is sourced from PubChem (CID 173341156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).