dodecane-1,6,7,11-tetrol

C12H26O4 — CID 88790738

IUPACdodecane-1,6,7,11-tetrol
SMILESCC(O)CCCC(O)C(O)CCCCCO
InChIInChI=1S/C12H26O4/c1-10(14)6-5-8-12(16)11(15)7-3-2-4-9-13/h10-16H,2-9H2,1H3
InChIKeyTUKQHXRMNBHMSH-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.81
Rot. Bonds10

About dodecane-1,6,7,11-tetrol

dodecane-1,6,7,11-tetrol (PubChem CID 88790738) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is dodecane-1,6,7,11-tetrol.

Molecular Properties

Compound Namedodecane-1,6,7,11-tetrol
PubChem CID88790738
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Namedodecane-1,6,7,11-tetrol
SMILESCC(O)CCCC(O)C(O)CCCCCO
InChIInChI=1S/C12H26O4/c1-10(14)6-5-8-12(16)11(15)7-3-2-4-9-13/h10-16H,2-9H2,1H3
InChIKeyTUKQHXRMNBHMSH-UHFFFAOYSA-N
XLogP0.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
hexane-1,5-diol;propane-1,3-diol
CID 139532508
tridecane-1,4,5,13-tetrol
CID 57164237
9-methyldecane-1,8-diol
CID 107094660
7-methyloctane-1,6-diol
CID 54253773
nonane-1,2,3,9-tetrol
CID 87488161
butane-1,3-diol;butane-1,4-diol
CID 18381145
nonane-1,5,6-triol
CID 174941867
8,12-dimethylicosane-1,20-diol
CID 170848864
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285

Frequently Asked Questions

What is the IUPAC name of dodecane-1,6,7,11-tetrol?
The IUPAC name of dodecane-1,6,7,11-tetrol (CID 88790738) is dodecane-1,6,7,11-tetrol.
What is the SMILES notation for dodecane-1,6,7,11-tetrol?
The canonical SMILES for dodecane-1,6,7,11-tetrol is CC(O)CCCC(O)C(O)CCCCCO.
What is the InChIKey of dodecane-1,6,7,11-tetrol?
The InChIKey is TUKQHXRMNBHMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-10(14)6-5-8-12(16)11(15)7-3-2-4-9-13/h10-16H,2-9H2,1H3.
What are the key properties of dodecane-1,6,7,11-tetrol?
dodecane-1,6,7,11-tetrol has a molecular weight of 234.34 g/mol, XLogP of 0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1,6,7,11-tetrol is sourced from PubChem (CID 88790738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).