2,6,6,10-tetramethylundecane-5,5-diol

C15H32O2 — CID 141261588

IUPAC2,6,6,10-tetramethylundecane-5,5-diol
SMILESCC(C)CCCC(C)(C)C(O)(O)CCC(C)C
InChIInChI=1S/C15H32O2/c1-12(2)8-7-10-14(5,6)15(16,17)11-9-13(3)4/h12-13,16-17H,7-11H2,1-6H3
InChIKeyLBZHOGGDFYIHNO-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.96
Rot. Bonds8

About 2,6,6,10-tetramethylundecane-5,5-diol

2,6,6,10-tetramethylundecane-5,5-diol (PubChem CID 141261588) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2,6,6,10-tetramethylundecane-5,5-diol.

Molecular Properties

Compound Name2,6,6,10-tetramethylundecane-5,5-diol
PubChem CID141261588
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name2,6,6,10-tetramethylundecane-5,5-diol
SMILESCC(C)CCCC(C)(C)C(O)(O)CCC(C)C
InChIInChI=1S/C15H32O2/c1-12(2)8-7-10-14(5,6)15(16,17)11-9-13(3)4/h12-13,16-17H,7-11H2,1-6H3
InChIKeyLBZHOGGDFYIHNO-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

2,5,8-trimethylnonan-5-ol
CID 58574498
2,5-dimethylhexan-2-ol;ethene
CID 144803935
(2S)-2-hydroxy-2,5-dimethylhexanenitrile
CID 71347470
2-hydroxy-2,6,10,14-tetramethylpentadecanenitrile
CID 3268041
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
6,6-difluoro-2,10-dimethylundecane
CID 169289858
1,1-difluoro-2,5-dimethylhexan-2-ol
CID 80605590
N-(2,6-dimethylheptan-2-yl)hydroxylamine
CID 138599633
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
3,3,7-trimethyloctan-2-one
CID 88712465
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
6-methyl-2-(2-methylpropyl)heptane-1,2-diol
CID 171442388

Frequently Asked Questions

What is the IUPAC name of 2,6,6,10-tetramethylundecane-5,5-diol?
The IUPAC name of 2,6,6,10-tetramethylundecane-5,5-diol (CID 141261588) is 2,6,6,10-tetramethylundecane-5,5-diol.
What is the SMILES notation for 2,6,6,10-tetramethylundecane-5,5-diol?
The canonical SMILES for 2,6,6,10-tetramethylundecane-5,5-diol is CC(C)CCCC(C)(C)C(O)(O)CCC(C)C.
What is the InChIKey of 2,6,6,10-tetramethylundecane-5,5-diol?
The InChIKey is LBZHOGGDFYIHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-12(2)8-7-10-14(5,6)15(16,17)11-9-13(3)4/h12-13,16-17H,7-11H2,1-6H3.
What are the key properties of 2,6,6,10-tetramethylundecane-5,5-diol?
2,6,6,10-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 2,6,6,10-tetramethylundecane-5,5-diol is sourced from PubChem (CID 141261588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).