2-(2-methoxyethoxy)ethyl dodecanoate

C17H34O4 — CID 10990309

IUPAC2-(2-methoxyethoxy)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCOCCOC
InChIInChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-17(18)21-16-15-20-14-13-19-2/h3-16H2,1-2H3
InChIKeyMLEMOFLJMJLPJC-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.11
Rot. Bonds16

About 2-(2-methoxyethoxy)ethyl dodecanoate

2-(2-methoxyethoxy)ethyl dodecanoate (PubChem CID 10990309) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl dodecanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl dodecanoate
PubChem CID10990309
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name2-(2-methoxyethoxy)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCOCCOC
InChIInChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-17(18)21-16-15-20-14-13-19-2/h3-16H2,1-2H3
InChIKeyMLEMOFLJMJLPJC-UHFFFAOYSA-N
XLogP4.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-methoxyethyl octanoate
CID 14009347
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078
2-dodecoxyethyl octadecanoate
CID 23042460
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl dodecanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl dodecanoate (CID 10990309) is 2-(2-methoxyethoxy)ethyl dodecanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl dodecanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl dodecanoate is CCCCCCCCCCCC(=O)OCCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl dodecanoate?
The InChIKey is MLEMOFLJMJLPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-17(18)21-16-15-20-14-13-19-2/h3-16H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl dodecanoate?
2-(2-methoxyethoxy)ethyl dodecanoate has a molecular weight of 302.46 g/mol, XLogP of 4.11, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl dodecanoate is sourced from PubChem (CID 10990309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).