2,2,8,8-tetramethylnonan-5-ol

C13H28O — CID 19931306

IUPAC2,2,8,8-tetramethylnonan-5-ol
SMILESCC(C)(C)CCC(O)CCC(C)(C)C
InChIInChI=1S/C13H28O/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyJFYWREZGYAUFLS-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds4

About 2,2,8,8-tetramethylnonan-5-ol

2,2,8,8-tetramethylnonan-5-ol (PubChem CID 19931306) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,2,8,8-tetramethylnonan-5-ol.

Molecular Properties

Compound Name2,2,8,8-tetramethylnonan-5-ol
PubChem CID19931306
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,2,8,8-tetramethylnonan-5-ol
SMILESCC(C)(C)CCC(O)CCC(C)(C)C
InChIInChI=1S/C13H28O/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h11,14H,7-10H2,1-6H3
InChIKeyJFYWREZGYAUFLS-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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9,9-dimethyldecan-4-ol
CID 18798749
2,2-dimethyldodecan-6-ol
CID 175569881
2,2,8,8-tetramethylnonan-4-ol
CID 19931283
5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
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2,2,3,7,7-pentamethyloctan-4-ol
CID 156689704
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
5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol
CID 114211453
4,7,7-trimethyloctan-3-ol
CID 63562017
1-cyclopropyl-4,4-dimethylpentan-1-ol
CID 62606898

Frequently Asked Questions

What is the IUPAC name of 2,2,8,8-tetramethylnonan-5-ol?
The IUPAC name of 2,2,8,8-tetramethylnonan-5-ol (CID 19931306) is 2,2,8,8-tetramethylnonan-5-ol.
What is the SMILES notation for 2,2,8,8-tetramethylnonan-5-ol?
The canonical SMILES for 2,2,8,8-tetramethylnonan-5-ol is CC(C)(C)CCC(O)CCC(C)(C)C.
What is the InChIKey of 2,2,8,8-tetramethylnonan-5-ol?
The InChIKey is JFYWREZGYAUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h11,14H,7-10H2,1-6H3.
What are the key properties of 2,2,8,8-tetramethylnonan-5-ol?
2,2,8,8-tetramethylnonan-5-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8-tetramethylnonan-5-ol is sourced from PubChem (CID 19931306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).