4-methyl-1-tritiopentane;4,4,5-trimethyloctane

C17H38 — CID 173400294

IUPAC4-methyl-1-tritiopentane;4,4,5-trimethyloctane
SMILESCCCC(C)C(C)(C)CCC.[3H]CCCC(C)C
InChIInChI=1S/C11H24.C6H14/c1-6-8-10(3)11(4,5)9-7-2;1-4-5-6(2)3/h10H,6-9H2,1-5H3;6H,4-5H2,1-3H3/i;1T
InChIKeyAEGUCGYQQNZDCY-WMTCLNHOSA-N
MW244.50 g/mol
LogP6.69
Rot. Bonds8

About 4-methyl-1-tritiopentane;4,4,5-trimethyloctane

4-methyl-1-tritiopentane;4,4,5-trimethyloctane (PubChem CID 173400294) has the molecular formula C17H38 and a molecular weight of 244.50 g/mol. Its IUPAC name is 4-methyl-1-tritiopentane;4,4,5-trimethyloctane.

Molecular Properties

Compound Name4-methyl-1-tritiopentane;4,4,5-trimethyloctane
PubChem CID173400294
Molecular FormulaC17H38
Molecular Weight244.50 g/mol
Exact Mass244.31
IUPAC Name4-methyl-1-tritiopentane;4,4,5-trimethyloctane
SMILESCCCC(C)C(C)(C)CCC.[3H]CCCC(C)C
InChIInChI=1S/C11H24.C6H14/c1-6-8-10(3)11(4,5)9-7-2;1-4-5-6(2)3/h10H,6-9H2,1-5H3;6H,4-5H2,1-3H3/i;1T
InChIKeyAEGUCGYQQNZDCY-WMTCLNHOSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5,6,9,10,10-hexamethyltridecane
CID 144617214
2,4,5,5-tetramethyloctane
CID 19844451
4,5,5-trimethyldodecane
CID 123360574
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
2-methylpentane
CID 7892
3,3,4-trimethylheptylhydrazine
CID 163637061
2,5,5,6-tetramethyloctane
CID 53424276
ethane;2-methylpentane
CID 143713716
azane;2-methylpentane
CID 87098569
azane;2-methylpentane
CID 18347292
2-methylpentane;hydroiodide
CID 160726714
(5R)-5,6,6-trimethylnonan-3-amine
CID 88967140

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-tritiopentane;4,4,5-trimethyloctane?
The IUPAC name of 4-methyl-1-tritiopentane;4,4,5-trimethyloctane (CID 173400294) is 4-methyl-1-tritiopentane;4,4,5-trimethyloctane.
What is the SMILES notation for 4-methyl-1-tritiopentane;4,4,5-trimethyloctane?
The canonical SMILES for 4-methyl-1-tritiopentane;4,4,5-trimethyloctane is CCCC(C)C(C)(C)CCC.[3H]CCCC(C)C.
What is the InChIKey of 4-methyl-1-tritiopentane;4,4,5-trimethyloctane?
The InChIKey is AEGUCGYQQNZDCY-WMTCLNHOSA-N. The full InChI is InChI=1S/C11H24.C6H14/c1-6-8-10(3)11(4,5)9-7-2;1-4-5-6(2)3/h10H,6-9H2,1-5H3;6H,4-5H2,1-3H3/i;1T.
What are the key properties of 4-methyl-1-tritiopentane;4,4,5-trimethyloctane?
4-methyl-1-tritiopentane;4,4,5-trimethyloctane has a molecular weight of 244.50 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-tritiopentane;4,4,5-trimethyloctane is sourced from PubChem (CID 173400294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).