2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate

C11H20O5 — CID 118889300

IUPAC2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
SMILESCC(=O)CCCCC(=O)OCCOCCO
InChIInChI=1S/C11H20O5/c1-10(13)4-2-3-5-11(14)16-9-8-15-7-6-12/h12H,2-9H2,1H3
InChIKeyNLMJUVOSAFANSF-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.69
Rot. Bonds10

About 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate

2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate (PubChem CID 118889300) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
PubChem CID118889300
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
SMILESCC(=O)CCCCC(=O)OCCOCCO
InChIInChI=1S/C11H20O5/c1-10(13)4-2-3-5-11(14)16-9-8-15-7-6-12/h12H,2-9H2,1H3
InChIKeyNLMJUVOSAFANSF-UHFFFAOYSA-N
XLogP0.69
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
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-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-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
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
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 5-aminopentanoate
CID 175059981
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid
CID 172745187
butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
CID 88656845

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate (CID 118889300) is 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate is CC(=O)CCCCC(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate?
The InChIKey is NLMJUVOSAFANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-10(13)4-2-3-5-11(14)16-9-8-15-7-6-12/h12H,2-9H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate?
2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate has a molecular weight of 232.28 g/mol, XLogP of 0.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate is sourced from PubChem (CID 118889300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).