2-hydroxyethyl 2,2-diethyloctanoate

C14H28O3 — CID 164897952

IUPAC2-hydroxyethyl 2,2-diethyloctanoate
SMILESCCCCCCC(CC)(CC)C(=O)OCCO
InChIInChI=1S/C14H28O3/c1-4-7-8-9-10-14(5-2,6-3)13(16)17-12-11-15/h15H,4-12H2,1-3H3
InChIKeyPLPRLWCGIUCNGV-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.30
Rot. Bonds10

About 2-hydroxyethyl 2,2-diethyloctanoate

2-hydroxyethyl 2,2-diethyloctanoate (PubChem CID 164897952) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-hydroxyethyl 2,2-diethyloctanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,2-diethyloctanoate
PubChem CID164897952
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-hydroxyethyl 2,2-diethyloctanoate
SMILESCCCCCCC(CC)(CC)C(=O)OCCO
InChIInChI=1S/C14H28O3/c1-4-7-8-9-10-14(5-2,6-3)13(16)17-12-11-15/h15H,4-12H2,1-3H3
InChIKeyPLPRLWCGIUCNGV-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
CID 141407378
octyl 2,2-dioctyldecanoate
CID 90110447
hexyl 2,2-dihexyloctanoate
CID 90110386
tridecyl 2,2-di(tridecyl)hexadecanoate
CID 175533725
azane;hexyl 2,2-dihexyloctanoate
CID 90110385
heptadecyl 2,2-bis(hydroxymethyl)butanoate
CID 90164651
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
9-(2-hydroxyethyl)-9-octoxycarbonylheptadecanoic acid
CID 173373289
3-hydroxypropyl 2,2-diethylbutanoate
CID 174412834
1-O-(2-hydroxyethyl) 3-O-octadecyl 2,2-dimethylpropanedioate
CID 153438657
hexadecyl 3-hydroxy-2,2-bis(hydroxymethyl)propanoate
CID 139170510
dibutyl 2,2-dioctylhexanedioate
CID 175019824

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,2-diethyloctanoate?
The IUPAC name of 2-hydroxyethyl 2,2-diethyloctanoate (CID 164897952) is 2-hydroxyethyl 2,2-diethyloctanoate.
What is the SMILES notation for 2-hydroxyethyl 2,2-diethyloctanoate?
The canonical SMILES for 2-hydroxyethyl 2,2-diethyloctanoate is CCCCCCC(CC)(CC)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2,2-diethyloctanoate?
The InChIKey is PLPRLWCGIUCNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-7-8-9-10-14(5-2,6-3)13(16)17-12-11-15/h15H,4-12H2,1-3H3.
What are the key properties of 2-hydroxyethyl 2,2-diethyloctanoate?
2-hydroxyethyl 2,2-diethyloctanoate has a molecular weight of 244.37 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,2-diethyloctanoate is sourced from PubChem (CID 164897952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).