2,4,6-trimethylnonane;2,4,6-trimethylnonane

C24H51+ — CID 159285592

IUPAC2,4,6-trimethylnonane;2,4,6-trimethylnonane
SMILESCCCC(C)CC(C)CC(C)C.C[CH+]CC(C)CC(C)CC(C)C
InChIInChI=1S/C12H26.C12H25/c2*1-6-7-11(4)9-12(5)8-10(2)3/h10-12H,6-9H2,1-5H3;6,10-12H,7-9H2,1-5H3/q;+1
InChIKeyKZLVXFPKSQGWFE-UHFFFAOYSA-N
MW339.67 g/mol
LogP8.80
Rot. Bonds12

About 2,4,6-trimethylnonane;2,4,6-trimethylnonane

2,4,6-trimethylnonane;2,4,6-trimethylnonane (PubChem CID 159285592) has the molecular formula C24H51+ and a molecular weight of 339.67 g/mol. Its IUPAC name is 2,4,6-trimethylnonane;2,4,6-trimethylnonane.

Molecular Properties

Compound Name2,4,6-trimethylnonane;2,4,6-trimethylnonane
PubChem CID159285592
Molecular FormulaC24H51+
Molecular Weight339.67 g/mol
Exact Mass339.40
IUPAC Name2,4,6-trimethylnonane;2,4,6-trimethylnonane
SMILESCCCC(C)CC(C)CC(C)C.C[CH+]CC(C)CC(C)CC(C)C
InChIInChI=1S/C12H26.C12H25/c2*1-6-7-11(4)9-12(5)8-10(2)3/h10-12H,6-9H2,1-5H3;6,10-12H,7-9H2,1-5H3/q;+1
InChIKeyKZLVXFPKSQGWFE-UHFFFAOYSA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.67
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10-pentamethyltridecane
CID 20715673
2,4-dimethyl-6-propylnonane
CID 57492214
3,5,7,9-tetramethyldodecane
CID 91047062
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
3,5-dimethyl-N-propan-2-yloctan-1-amine
CID 81018582
2,4,6,10-tetramethyltetradecane
CID 123234776

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylnonane;2,4,6-trimethylnonane?
The IUPAC name of 2,4,6-trimethylnonane;2,4,6-trimethylnonane (CID 159285592) is 2,4,6-trimethylnonane;2,4,6-trimethylnonane.
What is the SMILES notation for 2,4,6-trimethylnonane;2,4,6-trimethylnonane?
The canonical SMILES for 2,4,6-trimethylnonane;2,4,6-trimethylnonane is CCCC(C)CC(C)CC(C)C.C[CH+]CC(C)CC(C)CC(C)C.
What is the InChIKey of 2,4,6-trimethylnonane;2,4,6-trimethylnonane?
The InChIKey is KZLVXFPKSQGWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.C12H25/c2*1-6-7-11(4)9-12(5)8-10(2)3/h10-12H,6-9H2,1-5H3;6,10-12H,7-9H2,1-5H3/q;+1.
What are the key properties of 2,4,6-trimethylnonane;2,4,6-trimethylnonane?
2,4,6-trimethylnonane;2,4,6-trimethylnonane has a molecular weight of 339.67 g/mol, XLogP of 8.80, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylnonane;2,4,6-trimethylnonane is sourced from PubChem (CID 159285592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).