decane-2,2,3,3-tetrol

C10H22O4 — CID 174911337

IUPACdecane-2,2,3,3-tetrol
SMILESCCCCCCCC(O)(O)C(C)(O)O
InChIInChI=1S/C10H22O4/c1-3-4-5-6-7-8-10(13,14)9(2,11)12/h11-14H,3-8H2,1-2H3
InChIKeyIVZQQUFYOHTJPT-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.73
Rot. Bonds7

About decane-2,2,3,3-tetrol

decane-2,2,3,3-tetrol (PubChem CID 174911337) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is decane-2,2,3,3-tetrol.

Molecular Properties

Compound Namedecane-2,2,3,3-tetrol
PubChem CID174911337
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Namedecane-2,2,3,3-tetrol
SMILESCCCCCCCC(O)(O)C(C)(O)O
InChIInChI=1S/C10H22O4/c1-3-4-5-6-7-8-10(13,14)9(2,11)12/h11-14H,3-8H2,1-2H3
InChIKeyIVZQQUFYOHTJPT-UHFFFAOYSA-N
XLogP0.73
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.73
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 decane-2,2,3,3-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

tritriacontane-15,15,16,16-tetrol
CID 19863089
2,2-dimethylhenicosane-3,3-diol
CID 141289223
9-methyl-9-octylicosane-10,10-diol
CID 141445276
2,2,3-trimethylheptadecane-3,4,4-triol
CID 87189677
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
3,3-dimethyloctane-2,2-diol
CID 175169414
1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide
CID 173367019
decane-1,1,1,2,2,3,3,4,4-nonol
CID 141107070
1,1,1-trichlorononane
CID 6420387
triacontane-1,1,1-triol
CID 87376487
dodecane-1,1,1-triol
CID 22412604

Frequently Asked Questions

What is the IUPAC name of decane-2,2,3,3-tetrol?
The IUPAC name of decane-2,2,3,3-tetrol (CID 174911337) is decane-2,2,3,3-tetrol.
What is the SMILES notation for decane-2,2,3,3-tetrol?
The canonical SMILES for decane-2,2,3,3-tetrol is CCCCCCCC(O)(O)C(C)(O)O.
What is the InChIKey of decane-2,2,3,3-tetrol?
The InChIKey is IVZQQUFYOHTJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-3-4-5-6-7-8-10(13,14)9(2,11)12/h11-14H,3-8H2,1-2H3.
What are the key properties of decane-2,2,3,3-tetrol?
decane-2,2,3,3-tetrol has a molecular weight of 206.28 g/mol, XLogP of 0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane-2,2,3,3-tetrol is sourced from PubChem (CID 174911337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).