2-methyl-9-tritiononan-4-one

C10H20O — CID 58830992

IUPAC2-methyl-9-tritiononan-4-one
SMILES[3H]CCCCCC(=O)CC(C)C
InChIInChI=1S/C10H20O/c1-4-5-6-7-10(11)8-9(2)3/h9H,4-8H2,1-3H3/i1T
InChIKeyRZKJRTYHOUYGGM-CNRUNOGKSA-N
MW158.28 g/mol
LogP3.18
Rot. Bonds7

About 2-methyl-9-tritiononan-4-one

2-methyl-9-tritiononan-4-one (PubChem CID 58830992) has the molecular formula C10H20O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-methyl-9-tritiononan-4-one.

Molecular Properties

Compound Name2-methyl-9-tritiononan-4-one
PubChem CID58830992
Molecular FormulaC10H20O
Molecular Weight158.28 g/mol
Exact Mass158.16
IUPAC Name2-methyl-9-tritiononan-4-one
SMILES[3H]CCCCCC(=O)CC(C)C
InChIInChI=1S/C10H20O/c1-4-5-6-7-10(11)8-9(2)3/h9H,4-8H2,1-3H3/i1T
InChIKeyRZKJRTYHOUYGGM-CNRUNOGKSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylhexadecan-4-one
CID 63411798
2-methylhexadecane-4,7-dione
CID 57053022
10-amino-2-methyldecan-4-one
CID 116551412
9-bromo-2-methylnonan-4-one
CID 173106418
8-hydroxy-2-methylnonan-4-one
CID 57006312
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
CID 167631647
2-hydroxyundecan-4-one
CID 57218315
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
2,4-dimethyltetradecan-6-one
CID 57292607
6-methyl-1-methylsulfonylheptan-4-one
CID 63192162
5-methyltridecan-7-one
CID 71413449
15-methyltriacontane-14,17-dione
CID 57233805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-tritiononan-4-one?
The IUPAC name of 2-methyl-9-tritiononan-4-one (CID 58830992) is 2-methyl-9-tritiononan-4-one.
What is the SMILES notation for 2-methyl-9-tritiononan-4-one?
The canonical SMILES for 2-methyl-9-tritiononan-4-one is [3H]CCCCCC(=O)CC(C)C.
What is the InChIKey of 2-methyl-9-tritiononan-4-one?
The InChIKey is RZKJRTYHOUYGGM-CNRUNOGKSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-6-7-10(11)8-9(2)3/h9H,4-8H2,1-3H3/i1T.
What are the key properties of 2-methyl-9-tritiononan-4-one?
2-methyl-9-tritiononan-4-one has a molecular weight of 158.28 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-tritiononan-4-one is sourced from PubChem (CID 58830992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).