6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid

C19H36O6 — CID 59659514

IUPAC6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid
SMILESCC(C)(CCC(O)CCCC(O)CCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C19H36O6/c1-18(2,12-16(22)23)10-8-14(20)6-5-7-15(21)9-11-19(3,4)13-17(24)25/h14-15,20-21H,5-13H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyFQBKXSAFAVQHBJ-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.44
Rot. Bonds14

About 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid

6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid (PubChem CID 59659514) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid.

Molecular Properties

Compound Name6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid
PubChem CID59659514
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid
SMILESCC(C)(CCC(O)CCCC(O)CCC(C)(C)CC(=O)O)CC(=O)O
InChIInChI=1S/C19H36O6/c1-18(2,12-16(22)23)10-8-14(20)6-5-7-15(21)9-11-19(3,4)13-17(24)25/h14-15,20-21H,5-13H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyFQBKXSAFAVQHBJ-UHFFFAOYSA-N
XLogP3.44
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid with MolForge

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

Launch Full Analysis

Related Compounds

3,3-dimethyloctanoic acid
CID 20501381
3,3-dimethylnonanoic acid
CID 5282685
5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
[2-(carboxymethyl)-2,5-dihydroxytridecyl]-trimethylazanium
CID 177312184
14-(1-hydroxyethoxy)-3,3,14-trimethylpentadecanoic acid
CID 89041280
4-hydroxy-10,10-dimethyltridecanoic acid
CID 139805466
3,3,8,12-tetrahydroxydodecanoic acid
CID 57157348
5-[(4-carboxy-3,3-dimethylbutyl)carbamothioylamino]-3,3-dimethylpentanoic acid
CID 11290511
7-methoxy-3,3-dimethylheptanoic acid
CID 104650863
6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial
CID 59659598
3,3-dimethyl-5-nitrosopentanoic acid
CID 174843288
8-carbamoyl-12-hydroxy-16,16-dimethylheptadecanoic acid
CID 21401698

Frequently Asked Questions

What is the IUPAC name of 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid?
The IUPAC name of 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid (CID 59659514) is 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid.
What is the SMILES notation for 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid?
The canonical SMILES for 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid is CC(C)(CCC(O)CCCC(O)CCC(C)(C)CC(=O)O)CC(=O)O.
What is the InChIKey of 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid?
The InChIKey is FQBKXSAFAVQHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6/c1-18(2,12-16(22)23)10-8-14(20)6-5-7-15(21)9-11-19(3,4)13-17(24)25/h14-15,20-21H,5-13H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid?
6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid has a molecular weight of 360.49 g/mol, XLogP of 3.44, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydroxy-3,3,13,13-tetramethylpentadecanedioic acid is sourced from PubChem (CID 59659514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).