3,6,6,9-tetramethylundecane-5,5-diol

C15H32O2 — CID 141261587

IUPAC3,6,6,9-tetramethylundecane-5,5-diol
SMILESCCC(C)CCC(C)(C)C(O)(O)CC(C)CC
InChIInChI=1S/C15H32O2/c1-7-12(3)9-10-14(5,6)15(16,17)11-13(4)8-2/h12-13,16-17H,7-11H2,1-6H3
InChIKeyIZDQQHWARBSGDR-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.96
Rot. Bonds8

About 3,6,6,9-tetramethylundecane-5,5-diol

3,6,6,9-tetramethylundecane-5,5-diol (PubChem CID 141261587) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 3,6,6,9-tetramethylundecane-5,5-diol.

Molecular Properties

Compound Name3,6,6,9-tetramethylundecane-5,5-diol
PubChem CID141261587
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name3,6,6,9-tetramethylundecane-5,5-diol
SMILESCCC(C)CCC(C)(C)C(O)(O)CC(C)CC
InChIInChI=1S/C15H32O2/c1-7-12(3)9-10-14(5,6)15(16,17)11-13(4)8-2/h12-13,16-17H,7-11H2,1-6H3
InChIKeyIZDQQHWARBSGDR-UHFFFAOYSA-N
XLogP3.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57491683
2,3,6-trimethyloctan-3-ol
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3,6,9-trimethylundecan-6-amine
CID 90972549
3-ethyl-3,4,4,6-tetramethyloctane
CID 57492408
2,2,6-trimethyloctane
CID 522006
2,8-dimethyldecan-2-ol
CID 122367233
3,6,6,8-tetramethylundecane
CID 90718379
3-methoxy-3,7-dimethylnonane
CID 118351298
(7S)-2,2,7-trimethylnonan-4-ol
CID 168764974
3,3,6-trimethyloct-1-ene
CID 123906537
1-methoxy-3,5-dimethylheptan-3-ol
CID 65146816
methane;2,2,4-trimethylhexane
CID 159659116

Frequently Asked Questions

What is the IUPAC name of 3,6,6,9-tetramethylundecane-5,5-diol?
The IUPAC name of 3,6,6,9-tetramethylundecane-5,5-diol (CID 141261587) is 3,6,6,9-tetramethylundecane-5,5-diol.
What is the SMILES notation for 3,6,6,9-tetramethylundecane-5,5-diol?
The canonical SMILES for 3,6,6,9-tetramethylundecane-5,5-diol is CCC(C)CCC(C)(C)C(O)(O)CC(C)CC.
What is the InChIKey of 3,6,6,9-tetramethylundecane-5,5-diol?
The InChIKey is IZDQQHWARBSGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-7-12(3)9-10-14(5,6)15(16,17)11-13(4)8-2/h12-13,16-17H,7-11H2,1-6H3.
What are the key properties of 3,6,6,9-tetramethylundecane-5,5-diol?
3,6,6,9-tetramethylundecane-5,5-diol has a molecular weight of 244.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6,9-tetramethylundecane-5,5-diol is sourced from PubChem (CID 141261587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).