2,2,14,14-tetramethyl-8-oxopentadecanedioic acid

C19H34O5 — CID 11336822

IUPAC2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
SMILESCC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C19H34O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyNHVXRVOYVVPVDU-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.68
Rot. Bonds14

About 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid

2,2,14,14-tetramethyl-8-oxopentadecanedioic acid (PubChem CID 11336822) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid.

Molecular Properties

Compound Name2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
PubChem CID11336822
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name2,2,14,14-tetramethyl-8-oxopentadecanedioic acid
SMILESCC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C19H34O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyNHVXRVOYVVPVDU-UHFFFAOYSA-N
XLogP4.68
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid?
The IUPAC name of 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid (CID 11336822) is 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid.
What is the SMILES notation for 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid?
The canonical SMILES for 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid is CC(C)(CCCCCC(=O)CCCCCC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid?
The InChIKey is NHVXRVOYVVPVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h5-14H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid?
2,2,14,14-tetramethyl-8-oxopentadecanedioic acid has a molecular weight of 342.48 g/mol, XLogP of 4.68, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,14,14-tetramethyl-8-oxopentadecanedioic acid is sourced from PubChem (CID 11336822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).