decyl 2-ethyldecanoate

C22H44O2 — CID 22665194

IUPACdecyl 2-ethyldecanoate
SMILESCCCCCCCCCCOC(=O)C(CC)CCCCCCCC
InChIInChI=1S/C22H44O2/c1-4-7-9-11-13-14-16-18-20-24-22(23)21(6-3)19-17-15-12-10-8-5-2/h21H,4-20H2,1-3H3
InChIKeyYPVLBLLRZXKNEB-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.45
Rot. Bonds18

About decyl 2-ethyldecanoate

decyl 2-ethyldecanoate (PubChem CID 22665194) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is decyl 2-ethyldecanoate.

Molecular Properties

Compound Namedecyl 2-ethyldecanoate
PubChem CID22665194
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Namedecyl 2-ethyldecanoate
SMILESCCCCCCCCCCOC(=O)C(CC)CCCCCCCC
InChIInChI=1S/C22H44O2/c1-4-7-9-11-13-14-16-18-20-24-22(23)21(6-3)19-17-15-12-10-8-5-2/h21H,4-20H2,1-3H3
InChIKeyYPVLBLLRZXKNEB-UHFFFAOYSA-N
XLogP7.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl 2-ethyldecanoate
CID 22665192
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
tridecyl 2-hexadecylicosanoate
CID 159510432
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-hexyltetradecanoate
CID 57466026
octyl 2-butyldocosanoate
CID 174740469
dioctyl 2-ethylpentadecanedioate
CID 87116486
icosyl 2-ethylbutanoate
CID 91709792
nonadecyl 2-ethylbutanoate
CID 91709791

Frequently Asked Questions

What is the IUPAC name of decyl 2-ethyldecanoate?
The IUPAC name of decyl 2-ethyldecanoate (CID 22665194) is decyl 2-ethyldecanoate.
What is the SMILES notation for decyl 2-ethyldecanoate?
The canonical SMILES for decyl 2-ethyldecanoate is CCCCCCCCCCOC(=O)C(CC)CCCCCCCC.
What is the InChIKey of decyl 2-ethyldecanoate?
The InChIKey is YPVLBLLRZXKNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-4-7-9-11-13-14-16-18-20-24-22(23)21(6-3)19-17-15-12-10-8-5-2/h21H,4-20H2,1-3H3.
What are the key properties of decyl 2-ethyldecanoate?
decyl 2-ethyldecanoate has a molecular weight of 340.59 g/mol, XLogP of 7.45, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-ethyldecanoate is sourced from PubChem (CID 22665194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).