2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate

C20H38O5 — CID 92855750

IUPAC2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
SMILESCCCC[C@@H](CC)C(=O)OCCOCCOC(=O)[C@@H](CC)CCCC
InChIInChI=1S/C20H38O5/c1-5-9-11-17(7-3)19(21)24-15-13-23-14-16-25-20(22)18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3/t17-,18+
InChIKeyGWQRPOCMBMQBTK-HDICACEKSA-N
MW358.52 g/mol
LogP4.52
Rot. Bonds16

About 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate

2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate (PubChem CID 92855750) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate.

Molecular Properties

Compound Name2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
PubChem CID92855750
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
SMILESCCCC[C@@H](CC)C(=O)OCCOCCOC(=O)[C@@H](CC)CCCC
InChIInChI=1S/C20H38O5/c1-5-9-11-17(7-3)19(21)24-15-13-23-14-16-25-20(22)18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3/t17-,18+
InChIKeyGWQRPOCMBMQBTK-HDICACEKSA-N
XLogP4.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.52
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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
CID 19879658
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
4-propoxybutyl 2-ethylhexanoate
CID 19804568
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
hexadecyl 2-ethyldecanoate
CID 22665192
decyl 2-ethyldecanoate
CID 22665194
2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate
CID 157022939
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
butyl 2-butylhexanoate;stannane
CID 172996715
butyl (2S)-2-ethylhexaneperoxoate
CID 94864454

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate?
The IUPAC name of 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate (CID 92855750) is 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate.
What is the SMILES notation for 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate?
The canonical SMILES for 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate is CCCC[C@@H](CC)C(=O)OCCOCCOC(=O)[C@@H](CC)CCCC.
What is the InChIKey of 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate?
The InChIKey is GWQRPOCMBMQBTK-HDICACEKSA-N. The full InChI is InChI=1S/C20H38O5/c1-5-9-11-17(7-3)19(21)24-15-13-23-14-16-25-20(22)18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3/t17-,18+.
What are the key properties of 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate?
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate has a molecular weight of 358.52 g/mol, XLogP of 4.52, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate is sourced from PubChem (CID 92855750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).