3,5-dimethyldodecanoic acid

C14H28O2 — CID 56935801

IUPAC3,5-dimethyldodecanoic acid
SMILESCCCCCCCC(C)CC(C)CC(=O)O
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyBJCDOTOCKDZJAQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.48
Rot. Bonds10

About 3,5-dimethyldodecanoic acid

3,5-dimethyldodecanoic acid (PubChem CID 56935801) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,5-dimethyldodecanoic acid.

Molecular Properties

Compound Name3,5-dimethyldodecanoic acid
PubChem CID56935801
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3,5-dimethyldodecanoic acid
SMILESCCCCCCCC(C)CC(C)CC(=O)O
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyBJCDOTOCKDZJAQ-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyldodecanoic acid?
The IUPAC name of 3,5-dimethyldodecanoic acid (CID 56935801) is 3,5-dimethyldodecanoic acid.
What is the SMILES notation for 3,5-dimethyldodecanoic acid?
The canonical SMILES for 3,5-dimethyldodecanoic acid is CCCCCCCC(C)CC(C)CC(=O)O.
What is the InChIKey of 3,5-dimethyldodecanoic acid?
The InChIKey is BJCDOTOCKDZJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dimethyldodecanoic acid?
3,5-dimethyldodecanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyldodecanoic acid is sourced from PubChem (CID 56935801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).