6,8-dimethylnonane-1,1,6,9-tetrol

C11H24O4 — CID 57279896

IUPAC6,8-dimethylnonane-1,1,6,9-tetrol
SMILESCC(CO)CC(C)(O)CCCCC(O)O
InChIInChI=1S/C11H24O4/c1-9(8-12)7-11(2,15)6-4-3-5-10(13)14/h9-10,12-15H,3-8H2,1-2H3
InChIKeyBZLAQBNNFSHTFJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.63
Rot. Bonds8

About 6,8-dimethylnonane-1,1,6,9-tetrol

6,8-dimethylnonane-1,1,6,9-tetrol (PubChem CID 57279896) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6,8-dimethylnonane-1,1,6,9-tetrol.

Molecular Properties

Compound Name6,8-dimethylnonane-1,1,6,9-tetrol
PubChem CID57279896
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name6,8-dimethylnonane-1,1,6,9-tetrol
SMILESCC(CO)CC(C)(O)CCCCC(O)O
InChIInChI=1S/C11H24O4/c1-9(8-12)7-11(2,15)6-4-3-5-10(13)14/h9-10,12-15H,3-8H2,1-2H3
InChIKeyBZLAQBNNFSHTFJ-UHFFFAOYSA-N
XLogP0.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6,8-dimethylnonane-1,1,6,9-tetrol 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

7,8,9-tris(6,6-dihydroxyhexyl)-8-methylpentadecane-1,1,7,9,15,15-hexol
CID 91471952
11-decyldodecane-1,1,11,12-tetrol
CID 91079492
10,13-dimethyltetradecane-1,3,10,13-tetrol
CID 88708863
(2R,4R)-2,4-dimethyl-7-trimethylsilylhept-6-yne-1,4-diol
CID 102227332
2,7-dimethyloctane-1,8-diol
CID 11008425
2,4-dimethylnonan-4-ol
CID 3018500
2,14-dimethylpentadecane-2,8,14-triol
CID 88582277
2,5,5-trimethylhexan-1-ol
CID 3020914
2,4,6,8-tetramethyldecane-1,8-diol
CID 87893087
octane-1,1,8,8-tetrol
CID 88519685
hexane-1,1-diol;hexane-1,2-diol
CID 158152715
8,8-dipropylundecane-1,1-diol
CID 156789046

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethylnonane-1,1,6,9-tetrol?
The IUPAC name of 6,8-dimethylnonane-1,1,6,9-tetrol (CID 57279896) is 6,8-dimethylnonane-1,1,6,9-tetrol.
What is the SMILES notation for 6,8-dimethylnonane-1,1,6,9-tetrol?
The canonical SMILES for 6,8-dimethylnonane-1,1,6,9-tetrol is CC(CO)CC(C)(O)CCCCC(O)O.
What is the InChIKey of 6,8-dimethylnonane-1,1,6,9-tetrol?
The InChIKey is BZLAQBNNFSHTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-9(8-12)7-11(2,15)6-4-3-5-10(13)14/h9-10,12-15H,3-8H2,1-2H3.
What are the key properties of 6,8-dimethylnonane-1,1,6,9-tetrol?
6,8-dimethylnonane-1,1,6,9-tetrol has a molecular weight of 220.31 g/mol, XLogP of 0.63, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethylnonane-1,1,6,9-tetrol is sourced from PubChem (CID 57279896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).