2-butyl-2-ethyl-4-methyldecanoic acid

C17H34O2 — CID 170305038

IUPAC2-butyl-2-ethyl-4-methyldecanoic acid
SMILESCCCCCCC(C)CC(CC)(CCCC)C(=O)O
InChIInChI=1S/C17H34O2/c1-5-8-10-11-12-15(4)14-17(7-3,16(18)19)13-9-6-2/h15H,5-14H2,1-4H3,(H,18,19)
InChIKeyJNMRNYXVTILKLF-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.65
Rot. Bonds12

About 2-butyl-2-ethyl-4-methyldecanoic acid

2-butyl-2-ethyl-4-methyldecanoic acid (PubChem CID 170305038) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-butyl-2-ethyl-4-methyldecanoic acid.

Molecular Properties

Compound Name2-butyl-2-ethyl-4-methyldecanoic acid
PubChem CID170305038
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-butyl-2-ethyl-4-methyldecanoic acid
SMILESCCCCCCC(C)CC(CC)(CCCC)C(=O)O
InChIInChI=1S/C17H34O2/c1-5-8-10-11-12-15(4)14-17(7-3,16(18)19)13-9-6-2/h15H,5-14H2,1-4H3,(H,18,19)
InChIKeyJNMRNYXVTILKLF-UHFFFAOYSA-N
XLogP5.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butyl-2-ethyl-4-methyldecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-2-(2-methyloctyl)tetradecanoic acid
CID 170305090
2-benzyl-2-decyl-4-methylhexadecanoic acid
CID 170305051
2-butyl-2-ethylnonanoic acid
CID 57042574
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
2-butyl-2-ethyl-5-methylhexanoic acid
CID 63402909
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-diethyl-8-methylnonanoic acid
CID 162011616
(2R,4S)-2-amino-2,4-dimethyldecanoic acid
CID 151104039

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-4-methyldecanoic acid?
The IUPAC name of 2-butyl-2-ethyl-4-methyldecanoic acid (CID 170305038) is 2-butyl-2-ethyl-4-methyldecanoic acid.
What is the SMILES notation for 2-butyl-2-ethyl-4-methyldecanoic acid?
The canonical SMILES for 2-butyl-2-ethyl-4-methyldecanoic acid is CCCCCCC(C)CC(CC)(CCCC)C(=O)O.
What is the InChIKey of 2-butyl-2-ethyl-4-methyldecanoic acid?
The InChIKey is JNMRNYXVTILKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-5-8-10-11-12-15(4)14-17(7-3,16(18)19)13-9-6-2/h15H,5-14H2,1-4H3,(H,18,19).
What are the key properties of 2-butyl-2-ethyl-4-methyldecanoic acid?
2-butyl-2-ethyl-4-methyldecanoic acid has a molecular weight of 270.46 g/mol, XLogP of 5.65, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-4-methyldecanoic acid is sourced from PubChem (CID 170305038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).