ethane;2,2,6,6-tetramethylheptane;tritium monohydride

C15H38 — CID 158881033

IUPACethane;2,2,6,6-tetramethylheptane;tritium monohydride
SMILESCC.CC.CC(C)(C)CCCC(C)(C)C.[H][3H]
InChIInChI=1S/C11H24.2C2H6.H2/c1-10(2,3)8-7-9-11(4,5)6;2*1-2;/h7-9H2,1-6H3;2*1-2H3;1H/i;;;1+2
InChIKeyJDAIUPMTSXVRJL-SUNKFXMWSA-N
MW220.48 g/mol
LogP6.55
Rot. Bonds2

About ethane;2,2,6,6-tetramethylheptane;tritium monohydride

ethane;2,2,6,6-tetramethylheptane;tritium monohydride (PubChem CID 158881033) has the molecular formula C15H38 and a molecular weight of 220.48 g/mol. Its IUPAC name is ethane;2,2,6,6-tetramethylheptane;tritium monohydride.

Molecular Properties

Compound Nameethane;2,2,6,6-tetramethylheptane;tritium monohydride
PubChem CID158881033
Molecular FormulaC15H38
Molecular Weight220.48 g/mol
Exact Mass220.31
IUPAC Nameethane;2,2,6,6-tetramethylheptane;tritium monohydride
SMILESCC.CC.CC(C)(C)CCCC(C)(C)C.[H][3H]
InChIInChI=1S/C11H24.2C2H6.H2/c1-10(2,3)8-7-9-11(4,5)6;2*1-2;/h7-9H2,1-6H3;2*1-2H3;1H/i;;;1+2
InChIKeyJDAIUPMTSXVRJL-SUNKFXMWSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;2,2,6,6-tetramethylheptane;tritium monohydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
1-bromo-7,7-dimethyloctane
CID 18985391
4,4-dimethylpentan-1-amine
CID 14454757
2,2-dimethylhexane
CID 169424592
2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
CID 141028756
azane;2,2-dimethylhexane
CID 161105081
1-chloro-4,4-dimethylpentane
CID 524245
argon;ethane;1,1,1-trifluoro-2,2-dimethylpropane;1,1,1-trifluoro-2,2,6,6-tetramethylheptane
CID 167697447
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
potassium 4,4-dimethylpentan-1-olate
CID 175567265

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,6,6-tetramethylheptane;tritium monohydride?
The IUPAC name of ethane;2,2,6,6-tetramethylheptane;tritium monohydride (CID 158881033) is ethane;2,2,6,6-tetramethylheptane;tritium monohydride.
What is the SMILES notation for ethane;2,2,6,6-tetramethylheptane;tritium monohydride?
The canonical SMILES for ethane;2,2,6,6-tetramethylheptane;tritium monohydride is CC.CC.CC(C)(C)CCCC(C)(C)C.[H][3H].
What is the InChIKey of ethane;2,2,6,6-tetramethylheptane;tritium monohydride?
The InChIKey is JDAIUPMTSXVRJL-SUNKFXMWSA-N. The full InChI is InChI=1S/C11H24.2C2H6.H2/c1-10(2,3)8-7-9-11(4,5)6;2*1-2;/h7-9H2,1-6H3;2*1-2H3;1H/i;;;1+2.
What are the key properties of ethane;2,2,6,6-tetramethylheptane;tritium monohydride?
ethane;2,2,6,6-tetramethylheptane;tritium monohydride has a molecular weight of 220.48 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,6,6-tetramethylheptane;tritium monohydride is sourced from PubChem (CID 158881033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).