2-pentyldodecanoic acid

C17H34O2 — CID 18521426

IUPAC2-pentyldodecanoic acid
SMILESCCCCCCCCCCC(CCCCC)C(=O)O
InChIInChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-13-15-16(17(18)19)14-12-6-4-2/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyRVYJGPQZGSBHAH-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.80
Rot. Bonds14

About 2-pentyldodecanoic acid

2-pentyldodecanoic acid (PubChem CID 18521426) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-pentyldodecanoic acid.

Molecular Properties

Compound Name2-pentyldodecanoic acid
PubChem CID18521426
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-pentyldodecanoic acid
SMILESCCCCCCCCCCC(CCCCC)C(=O)O
InChIInChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-13-15-16(17(18)19)14-12-6-4-2/h16H,3-15H2,1-2H3,(H,18,19)
InChIKeyRVYJGPQZGSBHAH-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
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-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
2-undecyltridecanoic acid;hydrate
CID 162315261
(2S)-2-butyldecanoic acid
CID 98176194

Frequently Asked Questions

What is the IUPAC name of 2-pentyldodecanoic acid?
The IUPAC name of 2-pentyldodecanoic acid (CID 18521426) is 2-pentyldodecanoic acid.
What is the SMILES notation for 2-pentyldodecanoic acid?
The canonical SMILES for 2-pentyldodecanoic acid is CCCCCCCCCCC(CCCCC)C(=O)O.
What is the InChIKey of 2-pentyldodecanoic acid?
The InChIKey is RVYJGPQZGSBHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-7-8-9-10-11-13-15-16(17(18)19)14-12-6-4-2/h16H,3-15H2,1-2H3,(H,18,19).
What are the key properties of 2-pentyldodecanoic acid?
2-pentyldodecanoic acid has a molecular weight of 270.46 g/mol, XLogP of 5.80, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyldodecanoic acid is sourced from PubChem (CID 18521426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).