8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid

C19H36O5 — CID 172676285

IUPAC8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid
SMILESCC(CCCC(O)CCCCCC(C)C(=O)O)CC(C)(C)C(=O)O
InChIInChI=1S/C19H36O5/c1-14(13-19(3,4)18(23)24)9-8-12-16(20)11-7-5-6-10-15(2)17(21)22/h14-16,20H,5-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyXGGOFKOUXPRTMS-UHFFFAOYSA-N
MW344.49 g/mol
LogP4.33
Rot. Bonds14

About 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid

8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid (PubChem CID 172676285) has the molecular formula C19H36O5 and a molecular weight of 344.49 g/mol. Its IUPAC name is 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid.

Molecular Properties

Compound Name8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid
PubChem CID172676285
Molecular FormulaC19H36O5
Molecular Weight344.49 g/mol
Exact Mass344.26
IUPAC Name8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid
SMILESCC(CCCC(O)CCCCCC(C)C(=O)O)CC(C)(C)C(=O)O
InChIInChI=1S/C19H36O5/c1-14(13-19(3,4)18(23)24)9-8-12-16(20)11-7-5-6-10-15(2)17(21)22/h14-16,20H,5-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyXGGOFKOUXPRTMS-UHFFFAOYSA-N
XLogP4.33
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid?
The IUPAC name of 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid (CID 172676285) is 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid.
What is the SMILES notation for 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid?
The canonical SMILES for 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid is CC(CCCC(O)CCCCCC(C)C(=O)O)CC(C)(C)C(=O)O.
What is the InChIKey of 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid?
The InChIKey is XGGOFKOUXPRTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O5/c1-14(13-19(3,4)18(23)24)9-8-12-16(20)11-7-5-6-10-15(2)17(21)22/h14-16,20H,5-13H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid?
8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid has a molecular weight of 344.49 g/mol, XLogP of 4.33, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2,2,4,14-tetramethylpentadecanedioic acid is sourced from PubChem (CID 172676285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).