2-dodecyl-2-octyltetradecanoic acid

C34H68O2 — CID 24889792

IUPAC2-dodecyl-2-octyltetradecanoic acid
SMILESCCCCCCCCCCCCC(CCCCCCCC)(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C34H68O2/c1-4-7-10-13-16-18-20-22-25-28-31-34(33(35)36,30-27-24-15-12-9-6-3)32-29-26-23-21-19-17-14-11-8-5-2/h4-32H2,1-3H3,(H,35,36)
InChIKeyDBZGZZYBFLDSLR-UHFFFAOYSA-N
MW508.92 g/mol
LogP12.43
Rot. Bonds30

About 2-dodecyl-2-octyltetradecanoic acid

2-dodecyl-2-octyltetradecanoic acid (PubChem CID 24889792) has the molecular formula C34H68O2 and a molecular weight of 508.92 g/mol. Its IUPAC name is 2-dodecyl-2-octyltetradecanoic acid.

Molecular Properties

Compound Name2-dodecyl-2-octyltetradecanoic acid
PubChem CID24889792
Molecular FormulaC34H68O2
Molecular Weight508.92 g/mol
Exact Mass508.52
IUPAC Name2-dodecyl-2-octyltetradecanoic acid
SMILESCCCCCCCCCCCCC(CCCCCCCC)(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C34H68O2/c1-4-7-10-13-16-18-20-22-25-28-31-34(33(35)36,30-27-24-15-12-9-6-3)32-29-26-23-21-19-17-14-11-8-5-2/h4-32H2,1-3H3,(H,35,36)
InChIKeyDBZGZZYBFLDSLR-UHFFFAOYSA-N
XLogP12.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 512.43
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

2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2,2-dihexyldecanoic acid
CID 57072933
2-hexyl-2-propylnonanoic acid
CID 25095857
2,2-dibutyloctanoic acid;neodymium
CID 174758367
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2,2-di(docosyl)pentanedioic acid
CID 88540847
2,2-dioctylnonanedioic acid
CID 19037211
2,2-di(tridecyl)dodecanedioic acid
CID 88920824
2,2-di(undecyl)pentanedioic acid
CID 88541236
2,2-didecylheptanedioic acid
CID 123371306
2,2-di(docosyl)nonanedioic acid
CID 88541334

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-octyltetradecanoic acid?
The IUPAC name of 2-dodecyl-2-octyltetradecanoic acid (CID 24889792) is 2-dodecyl-2-octyltetradecanoic acid.
What is the SMILES notation for 2-dodecyl-2-octyltetradecanoic acid?
The canonical SMILES for 2-dodecyl-2-octyltetradecanoic acid is CCCCCCCCCCCCC(CCCCCCCC)(CCCCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-dodecyl-2-octyltetradecanoic acid?
The InChIKey is DBZGZZYBFLDSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68O2/c1-4-7-10-13-16-18-20-22-25-28-31-34(33(35)36,30-27-24-15-12-9-6-3)32-29-26-23-21-19-17-14-11-8-5-2/h4-32H2,1-3H3,(H,35,36).
What are the key properties of 2-dodecyl-2-octyltetradecanoic acid?
2-dodecyl-2-octyltetradecanoic acid has a molecular weight of 508.92 g/mol, XLogP of 12.43, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-octyltetradecanoic acid is sourced from PubChem (CID 24889792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).