4-methyl-2-propan-2-yltetradecanoic acid

C18H36O2 — CID 23394746

IUPAC4-methyl-2-propan-2-yltetradecanoic acid
SMILESCCCCCCCCCCC(C)CC(C(=O)O)C(C)C
InChIInChI=1S/C18H36O2/c1-5-6-7-8-9-10-11-12-13-16(4)14-17(15(2)3)18(19)20/h15-17H,5-14H2,1-4H3,(H,19,20)
InChIKeyZTOXNSMBILLSPP-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.90
Rot. Bonds13

About 4-methyl-2-propan-2-yltetradecanoic acid

4-methyl-2-propan-2-yltetradecanoic acid (PubChem CID 23394746) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yltetradecanoic acid.

Molecular Properties

Compound Name4-methyl-2-propan-2-yltetradecanoic acid
PubChem CID23394746
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name4-methyl-2-propan-2-yltetradecanoic acid
SMILESCCCCCCCCCCC(C)CC(C(=O)O)C(C)C
InChIInChI=1S/C18H36O2/c1-5-6-7-8-9-10-11-12-13-16(4)14-17(15(2)3)18(19)20/h15-17H,5-14H2,1-4H3,(H,19,20)
InChIKeyZTOXNSMBILLSPP-UHFFFAOYSA-N
XLogP5.90
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 ≤ 55.90
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

2,4-dimethyltetradecanoic acid
CID 5282697
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2-hydroxy-4-methylundecanoic acid
CID 87684052
3-methyl-2-(2-methylbutyl)decanoic acid
CID 151509127
hydroxy(oxo)titanium;2-propan-2-yloctadecanoic acid
CID 87354134
2-butyl-4-methylundecanoic acid
CID 170848284
(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
CID 52921748
2-(4-methylundecan-2-yl)propanedioic acid
CID 118536076
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2,3-di(icosyl)butanedioic acid
CID 140519407
(2S,4R)-2-amino-4-methylnonanoic acid
CID 165389386
(E)-2-propan-2-yloctadec-9-enoic acid
CID 21159543

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yltetradecanoic acid?
The IUPAC name of 4-methyl-2-propan-2-yltetradecanoic acid (CID 23394746) is 4-methyl-2-propan-2-yltetradecanoic acid.
What is the SMILES notation for 4-methyl-2-propan-2-yltetradecanoic acid?
The canonical SMILES for 4-methyl-2-propan-2-yltetradecanoic acid is CCCCCCCCCCC(C)CC(C(=O)O)C(C)C.
What is the InChIKey of 4-methyl-2-propan-2-yltetradecanoic acid?
The InChIKey is ZTOXNSMBILLSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-5-6-7-8-9-10-11-12-13-16(4)14-17(15(2)3)18(19)20/h15-17H,5-14H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-2-propan-2-yltetradecanoic acid?
4-methyl-2-propan-2-yltetradecanoic acid has a molecular weight of 284.48 g/mol, XLogP of 5.90, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yltetradecanoic acid is sourced from PubChem (CID 23394746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).