2-methoxyethyl octanoate

C11H22O3 — CID 14009347

IUPAC2-methoxyethyl octanoate
SMILESCCCCCCCC(=O)OCCOC
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-8-11(12)14-10-9-13-2/h3-10H2,1-2H3
InChIKeyRPUOMEMGFWBRFO-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.54
Rot. Bonds9

About 2-methoxyethyl octanoate

2-methoxyethyl octanoate (PubChem CID 14009347) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-methoxyethyl octanoate.

Molecular Properties

Compound Name2-methoxyethyl octanoate
PubChem CID14009347
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-methoxyethyl octanoate
SMILESCCCCCCCC(=O)OCCOC
InChIInChI=1S/C11H22O3/c1-3-4-5-6-7-8-11(12)14-10-9-13-2/h3-10H2,1-2H3
InChIKeyRPUOMEMGFWBRFO-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
5-O-(2-methoxyethyl) 1-O-tetradecyl pentanedioate
CID 91706373
heptyl 6-methoxyhexanoate
CID 134561585
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
ethanol;2-octadecanoyloxyethyl octadecanoate
CID 161101673
sodium;2-dodecanoyloxyethyl octadecanoate;hydride
CID 174887882
butyl 8-methoxyoctanoate
CID 155647547
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl octanoate?
The IUPAC name of 2-methoxyethyl octanoate (CID 14009347) is 2-methoxyethyl octanoate.
What is the SMILES notation for 2-methoxyethyl octanoate?
The canonical SMILES for 2-methoxyethyl octanoate is CCCCCCCC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl octanoate?
The InChIKey is RPUOMEMGFWBRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-6-7-8-11(12)14-10-9-13-2/h3-10H2,1-2H3.
What are the key properties of 2-methoxyethyl octanoate?
2-methoxyethyl octanoate has a molecular weight of 202.29 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl octanoate is sourced from PubChem (CID 14009347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).