(2S)-2-butyldecanoic acid

C14H28O2 — CID 98176194

IUPAC(2S)-2-butyldecanoic acid
SMILESCCCCCCCC[C@H](CCCC)C(=O)O
InChIInChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyAVZVXSXEVJTJAB-ZDUSSCGKSA-N
MW228.38 g/mol
LogP4.63
Rot. Bonds11

About (2S)-2-butyldecanoic acid

(2S)-2-butyldecanoic acid (PubChem CID 98176194) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-2-butyldecanoic acid.

Molecular Properties

Compound Name(2S)-2-butyldecanoic acid
PubChem CID98176194
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(2S)-2-butyldecanoic acid
SMILESCCCCCCCC[C@H](CCCC)C(=O)O
InChIInChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)/t13-/m0/s1
InChIKeyAVZVXSXEVJTJAB-ZDUSSCGKSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.63
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-pentyldodecanoic acid
CID 18521426
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyldecanoic acid?
The IUPAC name of (2S)-2-butyldecanoic acid (CID 98176194) is (2S)-2-butyldecanoic acid.
What is the SMILES notation for (2S)-2-butyldecanoic acid?
The canonical SMILES for (2S)-2-butyldecanoic acid is CCCCCCCC[C@H](CCCC)C(=O)O.
What is the InChIKey of (2S)-2-butyldecanoic acid?
The InChIKey is AVZVXSXEVJTJAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-13(14(15)16)11-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)/t13-/m0/s1.
What are the key properties of (2S)-2-butyldecanoic acid?
(2S)-2-butyldecanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyldecanoic acid is sourced from PubChem (CID 98176194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).