2-ethyl-3,3-dimethyltetradecanoic acid

C18H36O2 — CID 175257487

IUPAC2-ethyl-3,3-dimethyltetradecanoic acid
SMILESCCCCCCCCCCCC(C)(C)C(CC)C(=O)O
InChIInChI=1S/C18H36O2/c1-5-7-8-9-10-11-12-13-14-15-18(3,4)16(6-2)17(19)20/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeySRWWMMNNWAEGBP-UHFFFAOYSA-N
MW284.48 g/mol
LogP6.04
Rot. Bonds13

About 2-ethyl-3,3-dimethyltetradecanoic acid

2-ethyl-3,3-dimethyltetradecanoic acid (PubChem CID 175257487) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethyltetradecanoic acid.

Molecular Properties

Compound Name2-ethyl-3,3-dimethyltetradecanoic acid
PubChem CID175257487
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-ethyl-3,3-dimethyltetradecanoic acid
SMILESCCCCCCCCCCCC(C)(C)C(CC)C(=O)O
InChIInChI=1S/C18H36O2/c1-5-7-8-9-10-11-12-13-14-15-18(3,4)16(6-2)17(19)20/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeySRWWMMNNWAEGBP-UHFFFAOYSA-N
XLogP6.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.04
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-(2-methyltridecan-2-yl)propanedioic acid
CID 88734805
2-ethoxy-3-ethyl-2-hexylbutanedioic acid
CID 87447391
(1-carboxy-2,2-dimethylhexadecyl)-trimethylazanium
CID 20538026
azane;3-ethyl-2-hexyl-2-sulfobutanedioic acid
CID 174630918
4,4-dimethylhexadecan-3-ol
CID 168719984
2,3-diethyl-3-hydroxyheptanoic acid
CID 57207381
3,3-dimethyl-2-nonylpentanedioic acid
CID 87252473
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
10,10-dihexyl-2-tetradecylhexadecanoic acid
CID 141275600
calcium;2-(2-decyl-2-methyldodecyl)propanedioic acid;hydride
CID 174968730

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethyltetradecanoic acid?
The IUPAC name of 2-ethyl-3,3-dimethyltetradecanoic acid (CID 175257487) is 2-ethyl-3,3-dimethyltetradecanoic acid.
What is the SMILES notation for 2-ethyl-3,3-dimethyltetradecanoic acid?
The canonical SMILES for 2-ethyl-3,3-dimethyltetradecanoic acid is CCCCCCCCCCCC(C)(C)C(CC)C(=O)O.
What is the InChIKey of 2-ethyl-3,3-dimethyltetradecanoic acid?
The InChIKey is SRWWMMNNWAEGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-5-7-8-9-10-11-12-13-14-15-18(3,4)16(6-2)17(19)20/h16H,5-15H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-3,3-dimethyltetradecanoic acid?
2-ethyl-3,3-dimethyltetradecanoic acid has a molecular weight of 284.48 g/mol, XLogP of 6.04, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethyltetradecanoic acid is sourced from PubChem (CID 175257487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).