10-methylundecane-1,6,8,10-tetrol

C12H26O4 — CID 90955825

IUPAC10-methylundecane-1,6,8,10-tetrol
SMILESCC(C)(O)CC(O)CC(O)CCCCCO
InChIInChI=1S/C12H26O4/c1-12(2,16)9-11(15)8-10(14)6-4-3-5-7-13/h10-11,13-16H,3-9H2,1-2H3
InChIKeyWSFGOWFKRMUOMH-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.81
Rot. Bonds9

About 10-methylundecane-1,6,8,10-tetrol

10-methylundecane-1,6,8,10-tetrol (PubChem CID 90955825) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 10-methylundecane-1,6,8,10-tetrol.

Molecular Properties

Compound Name10-methylundecane-1,6,8,10-tetrol
PubChem CID90955825
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name10-methylundecane-1,6,8,10-tetrol
SMILESCC(C)(O)CC(O)CC(O)CCCCCO
InChIInChI=1S/C12H26O4/c1-12(2,16)9-11(15)8-10(14)6-4-3-5-7-13/h10-11,13-16H,3-9H2,1-2H3
InChIKeyWSFGOWFKRMUOMH-UHFFFAOYSA-N
XLogP0.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
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

15-methylhexadecane-1,12,15-triol
CID 90439897
hexadecane-1,5,7,9,13,15-hexol
CID 126747879
2-methyltridecane-2,4-diol
CID 90439736
pentadecane-1,12,14-triol
CID 90439739
(5R,7S)-decane-1,5,7-triol
CID 15527708
hexadecane-1,8,16-triol
CID 11403100
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
tridecane-1,4,13-triol
CID 90439734
16-methylheptadecane-1,15,16-triol
CID 90439756
13-methyltetradecane-1,12,13-triol
CID 90439785
undecane-1,9-diol
CID 56629636

Frequently Asked Questions

What is the IUPAC name of 10-methylundecane-1,6,8,10-tetrol?
The IUPAC name of 10-methylundecane-1,6,8,10-tetrol (CID 90955825) is 10-methylundecane-1,6,8,10-tetrol.
What is the SMILES notation for 10-methylundecane-1,6,8,10-tetrol?
The canonical SMILES for 10-methylundecane-1,6,8,10-tetrol is CC(C)(O)CC(O)CC(O)CCCCCO.
What is the InChIKey of 10-methylundecane-1,6,8,10-tetrol?
The InChIKey is WSFGOWFKRMUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-12(2,16)9-11(15)8-10(14)6-4-3-5-7-13/h10-11,13-16H,3-9H2,1-2H3.
What are the key properties of 10-methylundecane-1,6,8,10-tetrol?
10-methylundecane-1,6,8,10-tetrol has a molecular weight of 234.34 g/mol, XLogP of 0.81, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundecane-1,6,8,10-tetrol is sourced from PubChem (CID 90955825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).