2,2-diethyltridecanoic acid

C17H34O2 — CID 138578067

IUPAC2,2-diethyltridecanoic acid
SMILESCCCCCCCCCCCC(CC)(CC)C(=O)O
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-17(5-2,6-3)16(18)19/h4-15H2,1-3H3,(H,18,19)
InChIKeyFNBSABGPXIPHQX-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.80
Rot. Bonds13

About 2,2-diethyltridecanoic acid

2,2-diethyltridecanoic acid (PubChem CID 138578067) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2,2-diethyltridecanoic acid.

Molecular Properties

Compound Name2,2-diethyltridecanoic acid
PubChem CID138578067
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2,2-diethyltridecanoic acid
SMILESCCCCCCCCCCCC(CC)(CC)C(=O)O
InChIInChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-17(5-2,6-3)16(18)19/h4-15H2,1-3H3,(H,18,19)
InChIKeyFNBSABGPXIPHQX-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.80
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

2,2-diethylnonadecanoic acid
CID 139750929
2-butyl-2-ethylnonanoic acid
CID 57042574
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;indigane
CID 175172164
CID 87969329
CID 87969329
2,2-di(pentadecyl)butanedioic acid
CID 88541002
2-hexyl-2-propylnonanoic acid
CID 25095857
2,2-dibutyloctanoic acid;neodymium
CID 174758367

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyltridecanoic acid?
The IUPAC name of 2,2-diethyltridecanoic acid (CID 138578067) is 2,2-diethyltridecanoic acid.
What is the SMILES notation for 2,2-diethyltridecanoic acid?
The canonical SMILES for 2,2-diethyltridecanoic acid is CCCCCCCCCCCC(CC)(CC)C(=O)O.
What is the InChIKey of 2,2-diethyltridecanoic acid?
The InChIKey is FNBSABGPXIPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-7-8-9-10-11-12-13-14-15-17(5-2,6-3)16(18)19/h4-15H2,1-3H3,(H,18,19).
What are the key properties of 2,2-diethyltridecanoic acid?
2,2-diethyltridecanoic acid has a molecular weight of 270.46 g/mol, XLogP of 5.80, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyltridecanoic acid is sourced from PubChem (CID 138578067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).