2,2,4,5,6,6-hexamethylnonane

C15H32 — CID 123538800

IUPAC2,2,4,5,6,6-hexamethylnonane
SMILESCCCC(C)(C)C(C)C(C)CC(C)(C)C
InChIInChI=1S/C15H32/c1-9-10-15(7,8)13(3)12(2)11-14(4,5)6/h12-13H,9-11H2,1-8H3
InChIKeyCPFOPENARQNNHD-UHFFFAOYSA-N
MW212.42 g/mol
LogP5.52
Rot. Bonds5

About 2,2,4,5,6,6-hexamethylnonane

2,2,4,5,6,6-hexamethylnonane (PubChem CID 123538800) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 2,2,4,5,6,6-hexamethylnonane.

Molecular Properties

Compound Name2,2,4,5,6,6-hexamethylnonane
PubChem CID123538800
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name2,2,4,5,6,6-hexamethylnonane
SMILESCCCC(C)(C)C(C)C(C)CC(C)(C)C
InChIInChI=1S/C15H32/c1-9-10-15(7,8)13(3)12(2)11-14(4,5)6/h12-13H,9-11H2,1-8H3
InChIKeyCPFOPENARQNNHD-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Farnesane
CID 19773
2,2,4-Trimethylheptane
CID 26839
1,1,2-Trimethylcyclohexane
CID 35363
4,5-Dimethylnonane
CID 86541
1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
2-Ethyl-1,1-dimethylcyclopentane
CID 41123
(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,6,6-Pentamethylheptane
CID 26058
Octane, 2,3,7-trimethyl-
CID 43867
3,4-Dimethyloctane
CID 85926
tert-Butylcyclohexane
CID 18508
2,7,10-Trimethyldodecane
CID 93447

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,6,6-hexamethylnonane?
The IUPAC name of 2,2,4,5,6,6-hexamethylnonane (CID 123538800) is 2,2,4,5,6,6-hexamethylnonane.
What is the SMILES notation for 2,2,4,5,6,6-hexamethylnonane?
The canonical SMILES for 2,2,4,5,6,6-hexamethylnonane is CCCC(C)(C)C(C)C(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,5,6,6-hexamethylnonane?
The InChIKey is CPFOPENARQNNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32/c1-9-10-15(7,8)13(3)12(2)11-14(4,5)6/h12-13H,9-11H2,1-8H3.
What are the key properties of 2,2,4,5,6,6-hexamethylnonane?
2,2,4,5,6,6-hexamethylnonane has a molecular weight of 212.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,6,6-hexamethylnonane is sourced from PubChem (CID 123538800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).