2,3,4,6,6-pentamethyl-2-tritioheptane

C12H26 — CID 173494930

IUPAC2,3,4,6,6-pentamethyl-2-tritioheptane
SMILES[3H]C(C)(C)C(C)C(C)CC(C)(C)C
InChIInChI=1S/C12H26/c1-9(2)11(4)10(3)8-12(5,6)7/h9-11H,8H2,1-7H3/i9T
InChIKeyJVESFBBBMJIZLO-FIRFLZKJSA-N
MW172.35 g/mol
LogP4.35
Rot. Bonds3

About 2,3,4,6,6-pentamethyl-2-tritioheptane

2,3,4,6,6-pentamethyl-2-tritioheptane (PubChem CID 173494930) has the molecular formula C12H26 and a molecular weight of 172.35 g/mol. Its IUPAC name is 2,3,4,6,6-pentamethyl-2-tritioheptane.

Molecular Properties

Compound Name2,3,4,6,6-pentamethyl-2-tritioheptane
PubChem CID173494930
Molecular FormulaC12H26
Molecular Weight172.35 g/mol
Exact Mass172.21
IUPAC Name2,3,4,6,6-pentamethyl-2-tritioheptane
SMILES[3H]C(C)(C)C(C)C(C)CC(C)(C)C
InChIInChI=1S/C12H26/c1-9(2)11(4)10(3)8-12(5,6)7/h9-11H,8H2,1-7H3/i9T
InChIKeyJVESFBBBMJIZLO-FIRFLZKJSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-Dimethylheptane
CID 13534
2,3,3-Trimethylpentane
CID 11215
Heptane, 5-ethyl-2-methyl-
CID 26056
2,2,4-Trimethylheptane
CID 26839
2,4-Dimethylheptane
CID 16656
3,3,5-Trimethylheptane
CID 23544
2,3-Dimethylheptane
CID 26375
1,1,2-Trimethylcyclohexane
CID 35363
4,5-Dimethylnonane
CID 86541
2,2,4,6,6-Pentamethylheptane
CID 26058
2,2,3-Trimethylpentane
CID 11255
2,5-Dimethylheptane
CID 16662

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,6-pentamethyl-2-tritioheptane?
The IUPAC name of 2,3,4,6,6-pentamethyl-2-tritioheptane (CID 173494930) is 2,3,4,6,6-pentamethyl-2-tritioheptane.
What is the SMILES notation for 2,3,4,6,6-pentamethyl-2-tritioheptane?
The canonical SMILES for 2,3,4,6,6-pentamethyl-2-tritioheptane is [3H]C(C)(C)C(C)C(C)CC(C)(C)C.
What is the InChIKey of 2,3,4,6,6-pentamethyl-2-tritioheptane?
The InChIKey is JVESFBBBMJIZLO-FIRFLZKJSA-N. The full InChI is InChI=1S/C12H26/c1-9(2)11(4)10(3)8-12(5,6)7/h9-11H,8H2,1-7H3/i9T.
What are the key properties of 2,3,4,6,6-pentamethyl-2-tritioheptane?
2,3,4,6,6-pentamethyl-2-tritioheptane has a molecular weight of 172.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,6-pentamethyl-2-tritioheptane is sourced from PubChem (CID 173494930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).