2,9-diethyltetradecanoic acid

C18H36O2 — CID 174910450

IUPAC2,9-diethyltetradecanoic acid
SMILESCCCCCC(CC)CCCCCCC(CC)C(=O)O
InChIInChI=1S/C18H36O2/c1-4-7-10-13-16(5-2)14-11-8-9-12-15-17(6-3)18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyPZEDZOWNZMJOAR-UHFFFAOYSA-N
MW284.48 g/mol
LogP6.04
Rot. Bonds14

About 2,9-diethyltetradecanoic acid

2,9-diethyltetradecanoic acid (PubChem CID 174910450) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2,9-diethyltetradecanoic acid.

Molecular Properties

Compound Name2,9-diethyltetradecanoic acid
PubChem CID174910450
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2,9-diethyltetradecanoic acid
SMILESCCCCCC(CC)CCCCCCC(CC)C(=O)O
InChIInChI=1S/C18H36O2/c1-4-7-10-13-16(5-2)14-11-8-9-12-15-17(6-3)18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyPZEDZOWNZMJOAR-UHFFFAOYSA-N
XLogP6.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
2-ethylhexanoic acid;hexadecane
CID 174408772
2-(9-ethyltetradecyl)butanedioic acid
CID 174907381
4-ethyl-2-hexyloctanoic acid
CID 23205425
2-(6-ethylpentadecyl)propanedioic acid
CID 87568390
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677

Frequently Asked Questions

What is the IUPAC name of 2,9-diethyltetradecanoic acid?
The IUPAC name of 2,9-diethyltetradecanoic acid (CID 174910450) is 2,9-diethyltetradecanoic acid.
What is the SMILES notation for 2,9-diethyltetradecanoic acid?
The canonical SMILES for 2,9-diethyltetradecanoic acid is CCCCCC(CC)CCCCCCC(CC)C(=O)O.
What is the InChIKey of 2,9-diethyltetradecanoic acid?
The InChIKey is PZEDZOWNZMJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-4-7-10-13-16(5-2)14-11-8-9-12-15-17(6-3)18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20).
What are the key properties of 2,9-diethyltetradecanoic acid?
2,9-diethyltetradecanoic acid has a molecular weight of 284.48 g/mol, XLogP of 6.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diethyltetradecanoic acid is sourced from PubChem (CID 174910450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).