2,4,6-trimethylnonan-5-ol

C12H26O — CID 156689482

IUPAC2,4,6-trimethylnonan-5-ol
SMILESCCCC(C)C(O)C(C)CC(C)C
InChIInChI=1S/C12H26O/c1-6-7-10(4)12(13)11(5)8-9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyXKPCHIBCWWMKMA-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.47
Rot. Bonds6

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

2,4,6-trimethylnonan-5-ol (PubChem CID 156689482) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,4,6-trimethylnonan-5-ol.

Molecular Properties

Compound Name2,4,6-trimethylnonan-5-ol
PubChem CID156689482
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,4,6-trimethylnonan-5-ol
SMILESCCCC(C)C(O)C(C)CC(C)C
InChIInChI=1S/C12H26O/c1-6-7-10(4)12(13)11(5)8-9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyXKPCHIBCWWMKMA-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-6-propylnonan-5-ol
CID 156689504
2,2,4,6-tetramethylnonan-5-ol
CID 156689294
2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol
CID 23404669
2,4,6,8,10,12-hexamethyltridecan-7-ol
CID 170848745
2,4,6,7-tetramethylnonan-5-ol
CID 156689826
(2R)-3-methylhexan-2-ol
CID 88692749
2,5-dimethyl-4-propyloctane
CID 57491236
2-amino-4-methylheptane-1,3-diol
CID 66204531
4-(aminomethyl)-6-methylnonan-5-ol
CID 79412297
5,7-dimethyloctan-4-amine
CID 83047107
(4R)-4-methylheptan-3-ol
CID 12799251
2-methyl-1-sulfanylpentan-1-ol
CID 154061587

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylnonan-5-ol?
The IUPAC name of 2,4,6-trimethylnonan-5-ol (CID 156689482) is 2,4,6-trimethylnonan-5-ol.
What is the SMILES notation for 2,4,6-trimethylnonan-5-ol?
The canonical SMILES for 2,4,6-trimethylnonan-5-ol is CCCC(C)C(O)C(C)CC(C)C.
What is the InChIKey of 2,4,6-trimethylnonan-5-ol?
The InChIKey is XKPCHIBCWWMKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-7-10(4)12(13)11(5)8-9(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 2,4,6-trimethylnonan-5-ol?
2,4,6-trimethylnonan-5-ol has a molecular weight of 186.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylnonan-5-ol is sourced from PubChem (CID 156689482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).