2,2,4,6-tetramethylnonan-5-ol

C13H28O — CID 156689294

IUPAC2,2,4,6-tetramethylnonan-5-ol
SMILESCCCC(C)C(O)C(C)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-7-8-10(2)12(14)11(3)9-13(4,5)6/h10-12,14H,7-9H2,1-6H3
InChIKeyWHVFXUFSAKBMLX-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.86
Rot. Bonds5

About 2,2,4,6-tetramethylnonan-5-ol

2,2,4,6-tetramethylnonan-5-ol (PubChem CID 156689294) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2,2,4,6-tetramethylnonan-5-ol.

Molecular Properties

Compound Name2,2,4,6-tetramethylnonan-5-ol
PubChem CID156689294
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2,2,4,6-tetramethylnonan-5-ol
SMILESCCCC(C)C(O)C(C)CC(C)(C)C
InChIInChI=1S/C13H28O/c1-7-8-10(2)12(14)11(3)9-13(4,5)6/h10-12,14H,7-9H2,1-6H3
InChIKeyWHVFXUFSAKBMLX-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5,7,7-tetramethyloctan-4-ol
CID 156689232
2,4,6-trimethylnonan-5-ol
CID 156689482
2,2,5-trimethyloctan-4-amine
CID 107893664
2,2,4,5-tetramethylnonane
CID 57490937
2,2,5,6-tetramethyl-4-propan-2-ylnonane
CID 123310465
(2R)-3-methylhexan-2-ol
CID 88692749
2,2,4,8-tetramethylundecan-6-ol
CID 115789018
2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
4-(aminomethyl)-6-methylnonan-5-ol
CID 79412297
2-amino-4-methylheptane-1,3-diol
CID 66204531
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
decane-4,5,6,7-tetrol
CID 73238857

Frequently Asked Questions

What is the IUPAC name of 2,2,4,6-tetramethylnonan-5-ol?
The IUPAC name of 2,2,4,6-tetramethylnonan-5-ol (CID 156689294) is 2,2,4,6-tetramethylnonan-5-ol.
What is the SMILES notation for 2,2,4,6-tetramethylnonan-5-ol?
The canonical SMILES for 2,2,4,6-tetramethylnonan-5-ol is CCCC(C)C(O)C(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,6-tetramethylnonan-5-ol?
The InChIKey is WHVFXUFSAKBMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-7-8-10(2)12(14)11(3)9-13(4,5)6/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 2,2,4,6-tetramethylnonan-5-ol?
2,2,4,6-tetramethylnonan-5-ol has a molecular weight of 200.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6-tetramethylnonan-5-ol is sourced from PubChem (CID 156689294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).