ethoxyethane;2-hydroxyethyl dodecanoate

C18H38O4 — CID 87130982

IUPACethoxyethane;2-hydroxyethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCO.CCOCC
InChIInChI=1S/C14H28O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15;1-3-5-4-2/h15H,2-13H2,1H3;3-4H2,1-2H3
InChIKeyLZVLWOBTVGGACA-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.49
Rot. Bonds14

About ethoxyethane;2-hydroxyethyl dodecanoate

ethoxyethane;2-hydroxyethyl dodecanoate (PubChem CID 87130982) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is ethoxyethane;2-hydroxyethyl dodecanoate.

Molecular Properties

Compound Nameethoxyethane;2-hydroxyethyl dodecanoate
PubChem CID87130982
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Nameethoxyethane;2-hydroxyethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCO.CCOCC
InChIInChI=1S/C14H28O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15;1-3-5-4-2/h15H,2-13H2,1H3;3-4H2,1-2H3
InChIKeyLZVLWOBTVGGACA-UHFFFAOYSA-N
XLogP4.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;2-hydroxyethyl docosanoate
CID 121301688
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
ethene;2-hydroxyethyl hexadecanoate
CID 87221064
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
1-O-butyl 6-O-(2-hydroxyethyl) hexanedioate
CID 87069047
octyl 18-ethoxyoctadecanoate
CID 88843598

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-hydroxyethyl dodecanoate?
The IUPAC name of ethoxyethane;2-hydroxyethyl dodecanoate (CID 87130982) is ethoxyethane;2-hydroxyethyl dodecanoate.
What is the SMILES notation for ethoxyethane;2-hydroxyethyl dodecanoate?
The canonical SMILES for ethoxyethane;2-hydroxyethyl dodecanoate is CCCCCCCCCCCC(=O)OCCO.CCOCC.
What is the InChIKey of ethoxyethane;2-hydroxyethyl dodecanoate?
The InChIKey is LZVLWOBTVGGACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-11-14(16)17-13-12-15;1-3-5-4-2/h15H,2-13H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-hydroxyethyl dodecanoate?
ethoxyethane;2-hydroxyethyl dodecanoate has a molecular weight of 318.50 g/mol, XLogP of 4.49, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-hydroxyethyl dodecanoate is sourced from PubChem (CID 87130982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).