ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate

C14H28O5 — CID 103176658

IUPACethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
SMILESCCOC(=O)CCCCCOCCOCCCOC
InChIInChI=1S/C14H28O5/c1-3-19-14(15)8-5-4-6-10-17-12-13-18-11-7-9-16-2/h3-13H2,1-2H3
InChIKeyYOQVPYXGXHZEAV-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.18
Rot. Bonds14

About ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate

ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate (PubChem CID 103176658) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
PubChem CID103176658
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Nameethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate
SMILESCCOC(=O)CCCCCOCCOCCCOC
InChIInChI=1S/C14H28O5/c1-3-19-14(15)8-5-4-6-10-17-12-13-18-11-7-9-16-2/h3-13H2,1-2H3
InChIKeyYOQVPYXGXHZEAV-UHFFFAOYSA-N
XLogP2.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
ethyl 5-methoxypentanoate
CID 21476247
ethyl 16-butoxyhexadecanoate
CID 56991029
ethyl 4-[2-(2-heptoxyethoxy)ethoxy]butanoate
CID 121469676
2-(3-methoxypropoxy)ethyl 6-aminohexanoate
CID 103178476
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419
octyl 4-(2-methoxyethoxy)butanoate
CID 121469621
6-[2-(3-methoxypropoxy)ethoxy]hexanehydrazide
CID 103175984
ethyl 8-(2-butan-2-yloxyethoxy)octanoate
CID 58764416
diethyl icosanedioate
CID 5058538
ethyl 9-[2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]nonanoate
CID 58764423

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate?
The IUPAC name of ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate (CID 103176658) is ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate.
What is the SMILES notation for ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate?
The canonical SMILES for ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate is CCOC(=O)CCCCCOCCOCCCOC.
What is the InChIKey of ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate?
The InChIKey is YOQVPYXGXHZEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-3-19-14(15)8-5-4-6-10-17-12-13-18-11-7-9-16-2/h3-13H2,1-2H3.
What are the key properties of ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate?
ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate has a molecular weight of 276.37 g/mol, XLogP of 2.18, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(3-methoxypropoxy)ethoxy]hexanoate is sourced from PubChem (CID 103176658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).