2,2,11,11-tetramethyldodecane-1,1-diol

C16H34O2 — CID 154245547

IUPAC2,2,11,11-tetramethyldodecane-1,1-diol
SMILESCC(C)(C)CCCCCCCCC(C)(C)C(O)O
InChIInChI=1S/C16H34O2/c1-15(2,3)12-10-8-6-7-9-11-13-16(4,5)14(17)18/h14,17-18H,6-13H2,1-5H3
InChIKeySHEBYFHGTYHYAM-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.49
Rot. Bonds9

About 2,2,11,11-tetramethyldodecane-1,1-diol

2,2,11,11-tetramethyldodecane-1,1-diol (PubChem CID 154245547) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 2,2,11,11-tetramethyldodecane-1,1-diol.

Molecular Properties

Compound Name2,2,11,11-tetramethyldodecane-1,1-diol
PubChem CID154245547
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name2,2,11,11-tetramethyldodecane-1,1-diol
SMILESCC(C)(C)CCCCCCCCC(C)(C)C(O)O
InChIInChI=1S/C16H34O2/c1-15(2,3)12-10-8-6-7-9-11-13-16(4,5)14(17)18/h14,17-18H,6-13H2,1-5H3
InChIKeySHEBYFHGTYHYAM-UHFFFAOYSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139908955
9,9-dimethyldecan-3-ol
CID 156689502
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
3,3-dimethylnonan-2-ol
CID 19931299
2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
CID 129034366
3,3-dimethyldecan-2-ol
CID 87975868
1-methoxy-8,8-dimethylnonan-2-ol
CID 147170172
3-methoxy-2,2,4,4,9,9-hexamethyldecane
CID 58982174
4,4-dimethylhexadecan-3-ol
CID 168719984
9,9-dimethyldecan-4-ol
CID 18798749
2,2-dimethyldodecan-6-ol
CID 175569881
2,2,8,8-tetramethylnonan-4-ol
CID 19931283

Frequently Asked Questions

What is the IUPAC name of 2,2,11,11-tetramethyldodecane-1,1-diol?
The IUPAC name of 2,2,11,11-tetramethyldodecane-1,1-diol (CID 154245547) is 2,2,11,11-tetramethyldodecane-1,1-diol.
What is the SMILES notation for 2,2,11,11-tetramethyldodecane-1,1-diol?
The canonical SMILES for 2,2,11,11-tetramethyldodecane-1,1-diol is CC(C)(C)CCCCCCCCC(C)(C)C(O)O.
What is the InChIKey of 2,2,11,11-tetramethyldodecane-1,1-diol?
The InChIKey is SHEBYFHGTYHYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-15(2,3)12-10-8-6-7-9-11-13-16(4,5)14(17)18/h14,17-18H,6-13H2,1-5H3.
What are the key properties of 2,2,11,11-tetramethyldodecane-1,1-diol?
2,2,11,11-tetramethyldodecane-1,1-diol has a molecular weight of 258.45 g/mol, XLogP of 4.49, 9 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-1,1-diol is sourced from PubChem (CID 154245547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).