3-hydroxy-10,10-dimethyltridecanoic acid

C15H30O3 — CID 139805418

IUPAC3-hydroxy-10,10-dimethyltridecanoic acid
SMILESCCCC(C)(C)CCCCCCC(O)CC(=O)O
InChIInChI=1S/C15H30O3/c1-4-10-15(2,3)11-8-6-5-7-9-13(16)12-14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyUAEMWHBNAJPEIJ-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.99
Rot. Bonds11

About 3-hydroxy-10,10-dimethyltridecanoic acid

3-hydroxy-10,10-dimethyltridecanoic acid (PubChem CID 139805418) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 3-hydroxy-10,10-dimethyltridecanoic acid.

Molecular Properties

Compound Name3-hydroxy-10,10-dimethyltridecanoic acid
PubChem CID139805418
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name3-hydroxy-10,10-dimethyltridecanoic acid
SMILESCCCC(C)(C)CCCCCCC(O)CC(=O)O
InChIInChI=1S/C15H30O3/c1-4-10-15(2,3)11-8-6-5-7-9-13(16)12-14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyUAEMWHBNAJPEIJ-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

4-hydroxy-10,10-dimethyltridecanoic acid
CID 139805466
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyoctanoic acid
CID 159718411
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
(9-hydroxy-3,3,15,15-tetramethyloctadecyl) formate
CID 58097483
9-amino-3-hydroxyundecanoic acid
CID 175426923
(3R,5R)-3,5-dihydroxydocosanoic acid
CID 102203188
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
2-(10-hydroxyhexadecyl)-2-octadecylicosanoic acid
CID 175431331

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-10,10-dimethyltridecanoic acid?
The IUPAC name of 3-hydroxy-10,10-dimethyltridecanoic acid (CID 139805418) is 3-hydroxy-10,10-dimethyltridecanoic acid.
What is the SMILES notation for 3-hydroxy-10,10-dimethyltridecanoic acid?
The canonical SMILES for 3-hydroxy-10,10-dimethyltridecanoic acid is CCCC(C)(C)CCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-10,10-dimethyltridecanoic acid?
The InChIKey is UAEMWHBNAJPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-4-10-15(2,3)11-8-6-5-7-9-13(16)12-14(17)18/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 3-hydroxy-10,10-dimethyltridecanoic acid?
3-hydroxy-10,10-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 3-hydroxy-10,10-dimethyltridecanoic acid is sourced from PubChem (CID 139805418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).