2-decyl-2-methyltetradecanoic acid

C25H50O2 — CID 611890

IUPAC2-decyl-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C25H50O2/c1-4-6-8-10-12-14-15-17-19-21-23-25(3,24(26)27)22-20-18-16-13-11-9-7-5-2/h4-23H2,1-3H3,(H,26,27)
InChIKeyDZXGXEOZTBOHKZ-UHFFFAOYSA-N
MW382.67 g/mol
LogP8.92
Rot. Bonds21

About 2-decyl-2-methyltetradecanoic acid

2-decyl-2-methyltetradecanoic acid (PubChem CID 611890) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is 2-decyl-2-methyltetradecanoic acid.

Molecular Properties

Compound Name2-decyl-2-methyltetradecanoic acid
PubChem CID611890
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name2-decyl-2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C25H50O2/c1-4-6-8-10-12-14-15-17-19-21-23-25(3,24(26)27)22-20-18-16-13-11-9-7-5-2/h4-23H2,1-3H3,(H,26,27)
InChIKeyDZXGXEOZTBOHKZ-UHFFFAOYSA-N
XLogP8.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.92
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-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184
2-butyl-2-methylhexanoic acid
CID 15930803
2-hexyl-2-methyldodecanedioic acid
CID 90370691
2-(8-fluorooctyl)-2-methylpentadecanoic acid
CID 175368880
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
(Z)-2-methyl-2-propyloctadec-9-enoic acid
CID 160795376
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-methyl-2-propylnonanedioic acid
CID 160508376
2-methyl-2-(2-octyldodecyl)octadecanoic acid
CID 170305076

Frequently Asked Questions

What is the IUPAC name of 2-decyl-2-methyltetradecanoic acid?
The IUPAC name of 2-decyl-2-methyltetradecanoic acid (CID 611890) is 2-decyl-2-methyltetradecanoic acid.
What is the SMILES notation for 2-decyl-2-methyltetradecanoic acid?
The canonical SMILES for 2-decyl-2-methyltetradecanoic acid is CCCCCCCCCCCCC(C)(CCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-decyl-2-methyltetradecanoic acid?
The InChIKey is DZXGXEOZTBOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2/c1-4-6-8-10-12-14-15-17-19-21-23-25(3,24(26)27)22-20-18-16-13-11-9-7-5-2/h4-23H2,1-3H3,(H,26,27).
What are the key properties of 2-decyl-2-methyltetradecanoic acid?
2-decyl-2-methyltetradecanoic acid has a molecular weight of 382.67 g/mol, XLogP of 8.92, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-2-methyltetradecanoic acid is sourced from PubChem (CID 611890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).