2-(1-methoxyethoxy)ethyl nonanoate

C14H28O4 — CID 20729100

IUPAC2-(1-methoxyethoxy)ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCOC(C)OC
InChIInChI=1S/C14H28O4/c1-4-5-6-7-8-9-10-14(15)18-12-11-17-13(2)16-3/h13H,4-12H2,1-3H3
InChIKeyLRBXRPOVZARMIK-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.29
Rot. Bonds12

About 2-(1-methoxyethoxy)ethyl nonanoate

2-(1-methoxyethoxy)ethyl nonanoate (PubChem CID 20729100) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl nonanoate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl nonanoate
PubChem CID20729100
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-(1-methoxyethoxy)ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCOC(C)OC
InChIInChI=1S/C14H28O4/c1-4-5-6-7-8-9-10-14(15)18-12-11-17-13(2)16-3/h13H,4-12H2,1-3H3
InChIKeyLRBXRPOVZARMIK-UHFFFAOYSA-N
XLogP3.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethylene brassylate
CID 61014
Glycol Dilaurate
CID 69348
Ethylene dodecanedioate
CID 41270
Triethylene glycol dicaprate
CID 7787
Bis(2-butoxyethyl) sebacate
CID 67329
Octanoic acid, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) ester
CID 221542
Diethylene glycol dinonanoate
CID 66933
2-Methoxyethyl nonanoate
CID 159322
Bis(2-ethoxyethyl)sebacate
CID 73956
1,10-Bis(2-methoxyethyl) decanedioate
CID 172921
Acetylated glycol stearate
CID 89768
Octadecanoic acid, 2-(2-butoxyethoxy)ethyl ester
CID 3022830

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl nonanoate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl nonanoate (CID 20729100) is 2-(1-methoxyethoxy)ethyl nonanoate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl nonanoate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl nonanoate is CCCCCCCCC(=O)OCCOC(C)OC.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl nonanoate?
The InChIKey is LRBXRPOVZARMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-4-5-6-7-8-9-10-14(15)18-12-11-17-13(2)16-3/h13H,4-12H2,1-3H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl nonanoate?
2-(1-methoxyethoxy)ethyl nonanoate has a molecular weight of 260.37 g/mol, XLogP of 3.29, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl nonanoate is sourced from PubChem (CID 20729100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).