2,2-dihexyldecanoic acid

C22H44O2 — CID 57072933

IUPAC2,2-dihexyldecanoic acid
SMILESCCCCCCCCC(CCCCCC)(CCCCCC)C(=O)O
InChIInChI=1S/C22H44O2/c1-4-7-10-13-14-17-20-22(21(23)24,18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3,(H,23,24)
InChIKeyMGNNZJZKKFHIOL-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.75
Rot. Bonds18

About 2,2-dihexyldecanoic acid

2,2-dihexyldecanoic acid (PubChem CID 57072933) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2,2-dihexyldecanoic acid.

Molecular Properties

Compound Name2,2-dihexyldecanoic acid
PubChem CID57072933
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2,2-dihexyldecanoic acid
SMILESCCCCCCCCC(CCCCCC)(CCCCCC)C(=O)O
InChIInChI=1S/C22H44O2/c1-4-7-10-13-14-17-20-22(21(23)24,18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3,(H,23,24)
InChIKeyMGNNZJZKKFHIOL-UHFFFAOYSA-N
XLogP7.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.75
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-dodecyl-2-octyltetradecanoic acid
CID 24889792
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 2,2-dihexyldecanoic acid?
The IUPAC name of 2,2-dihexyldecanoic acid (CID 57072933) is 2,2-dihexyldecanoic acid.
What is the SMILES notation for 2,2-dihexyldecanoic acid?
The canonical SMILES for 2,2-dihexyldecanoic acid is CCCCCCCCC(CCCCCC)(CCCCCC)C(=O)O.
What is the InChIKey of 2,2-dihexyldecanoic acid?
The InChIKey is MGNNZJZKKFHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-4-7-10-13-14-17-20-22(21(23)24,18-15-11-8-5-2)19-16-12-9-6-3/h4-20H2,1-3H3,(H,23,24).
What are the key properties of 2,2-dihexyldecanoic acid?
2,2-dihexyldecanoic acid has a molecular weight of 340.59 g/mol, XLogP of 7.75, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihexyldecanoic acid is sourced from PubChem (CID 57072933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).