2,2,11,11-tetramethyldodecane-3,10-diol

C16H34O2 — CID 86054845

IUPAC2,2,11,11-tetramethyldodecane-3,10-diol
SMILESCC(C)(C)C(O)CCCCCCC(O)C(C)(C)C
InChIInChI=1S/C16H34O2/c1-15(2,3)13(17)11-9-7-8-10-12-14(18)16(4,5)6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyMWWGXOCZFYJUKX-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.14
Rot. Bonds7

About 2,2,11,11-tetramethyldodecane-3,10-diol

2,2,11,11-tetramethyldodecane-3,10-diol (PubChem CID 86054845) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,2,11,11-tetramethyldodecane-3,10-diol.

Molecular Properties

Compound Name2,2,11,11-tetramethyldodecane-3,10-diol
PubChem CID86054845
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,2,11,11-tetramethyldodecane-3,10-diol
SMILESCC(C)(C)C(O)CCCCCCC(O)C(C)(C)C
InChIInChI=1S/C16H34O2/c1-15(2,3)13(17)11-9-7-8-10-12-14(18)16(4,5)6/h13-14,17-18H,7-12H2,1-6H3
InChIKeyMWWGXOCZFYJUKX-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,2-dimethylhexan-3-ol
CID 7004855
(E,3R)-2,2-dimethylheptadec-7-en-3-ol
CID 176767686
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
2-methyldodecane-2,3-diol
CID 90439854
13-methyltetradecane-1,12,13-triol
CID 90439785
2-methylheptadecane-2,3-diol
CID 90439823
16-methylheptadecane-1,15,16-triol
CID 90439756
4-hydroxy-5,5-dimethylhexanenitrile
CID 10654308
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
3-methyldodecane-3,4-diol
CID 103448703
2-(hydroxyamino)-2-methylnonadecan-3-ol
CID 123158209
2,2,6,6-tetramethylheptan-4-ol;2,2,5,5-tetramethylhexan-3-ol;2,2,7,7-tetramethyloctan-3-ol;bis(2,2,7,7-tetramethyloctan-4-ol)
CID 160725323

Frequently Asked Questions

What is the IUPAC name of 2,2,11,11-tetramethyldodecane-3,10-diol?
The IUPAC name of 2,2,11,11-tetramethyldodecane-3,10-diol (CID 86054845) is 2,2,11,11-tetramethyldodecane-3,10-diol.
What is the SMILES notation for 2,2,11,11-tetramethyldodecane-3,10-diol?
The canonical SMILES for 2,2,11,11-tetramethyldodecane-3,10-diol is CC(C)(C)C(O)CCCCCCC(O)C(C)(C)C.
What is the InChIKey of 2,2,11,11-tetramethyldodecane-3,10-diol?
The InChIKey is MWWGXOCZFYJUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-15(2,3)13(17)11-9-7-8-10-12-14(18)16(4,5)6/h13-14,17-18H,7-12H2,1-6H3.
What are the key properties of 2,2,11,11-tetramethyldodecane-3,10-diol?
2,2,11,11-tetramethyldodecane-3,10-diol has a molecular weight of 258.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,11,11-tetramethyldodecane-3,10-diol is sourced from PubChem (CID 86054845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).