3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid

C19H38O3 — CID 71346921

IUPAC3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCC(O)C(C)C(=O)O
InChIInChI=1S/C19H38O3/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18(20)17(5)19(21)22/h14-18,20H,6-13H2,1-5H3,(H,21,22)
InChIKeyQYCJOLFDFWRUFH-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.12
Rot. Bonds13

About 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid

3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid (PubChem CID 71346921) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid
PubChem CID71346921
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCC(O)C(C)C(=O)O
InChIInChI=1S/C19H38O3/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18(20)17(5)19(21)22/h14-18,20H,6-13H2,1-5H3,(H,21,22)
InChIKeyQYCJOLFDFWRUFH-UHFFFAOYSA-N
XLogP5.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid?
The IUPAC name of 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid (CID 71346921) is 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid.
What is the SMILES notation for 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid?
The canonical SMILES for 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid is CC(C)CCCC(C)CCCC(C)CCC(O)C(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid?
The InChIKey is QYCJOLFDFWRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18(20)17(5)19(21)22/h14-18,20H,6-13H2,1-5H3,(H,21,22).
What are the key properties of 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid?
3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid has a molecular weight of 314.51 g/mol, XLogP of 5.12, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,6,10,14-tetramethylpentadecanoic acid is sourced from PubChem (CID 71346921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).