7-hydroxy-2,2-dimethyltridecanoic acid

C15H30O3 — CID 59660145

IUPAC7-hydroxy-2,2-dimethyltridecanoic acid
SMILESCCCCCCC(O)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C15H30O3/c1-4-5-6-7-10-13(16)11-8-9-12-15(2,3)14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyLRZKADMGDMMRBY-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.99
Rot. Bonds11

About 7-hydroxy-2,2-dimethyltridecanoic acid

7-hydroxy-2,2-dimethyltridecanoic acid (PubChem CID 59660145) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 7-hydroxy-2,2-dimethyltridecanoic acid.

Molecular Properties

Compound Name7-hydroxy-2,2-dimethyltridecanoic acid
PubChem CID59660145
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name7-hydroxy-2,2-dimethyltridecanoic acid
SMILESCCCCCCC(O)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C15H30O3/c1-4-5-6-7-10-13(16)11-8-9-12-15(2,3)14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyLRZKADMGDMMRBY-UHFFFAOYSA-N
XLogP3.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyldocosanoic acid
CID 23471202
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2-(10-hydroxyhexadecyl)-2-octadecylicosanoic acid
CID 175431331
12-hydroxyheptadecane-1,1,1-tricarboxylic acid
CID 57104312
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
azane;2,2-dimethyltetradecanoic acid;formaldehyde;hydroiodide
CID 173063198
(E)-9,12,13-trihydroxy-2,2-dimethyloctadec-10-enoic acid
CID 156679628
octadecane-8,11-diol
CID 101412726
5-hydroxy-2-octylundecanoic acid
CID 57125761
7-methoxy-2,2-dimethylundecanoic acid
CID 88582161
2-(10-hydroxyhexadecyl)hexacosanoic acid
CID 87612746
2-dodecyl-14-hydroxyicosanoic acid
CID 87612369

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,2-dimethyltridecanoic acid?
The IUPAC name of 7-hydroxy-2,2-dimethyltridecanoic acid (CID 59660145) is 7-hydroxy-2,2-dimethyltridecanoic acid.
What is the SMILES notation for 7-hydroxy-2,2-dimethyltridecanoic acid?
The canonical SMILES for 7-hydroxy-2,2-dimethyltridecanoic acid is CCCCCCC(O)CCCCC(C)(C)C(=O)O.
What is the InChIKey of 7-hydroxy-2,2-dimethyltridecanoic acid?
The InChIKey is LRZKADMGDMMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-4-5-6-7-10-13(16)11-8-9-12-15(2,3)14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 7-hydroxy-2,2-dimethyltridecanoic acid?
7-hydroxy-2,2-dimethyltridecanoic acid has a molecular weight of 258.40 g/mol, XLogP of 3.99, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,2-dimethyltridecanoic acid is sourced from PubChem (CID 59660145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).