molecular hydrogen;2,2,6,6-tetramethylheptane

C11H26 — CID 169194475

IUPACmolecular hydrogen;2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.[H][H]
InChIInChI=1S/C11H24.H2/c1-10(2,3)8-7-9-11(4,5)6;/h7-9H2,1-6H3;1H
InChIKeyYCYYSUMJIXJDEU-UHFFFAOYSA-N
MW158.33 g/mol
LogP4.49
Rot. Bonds2

About molecular hydrogen;2,2,6,6-tetramethylheptane

molecular hydrogen;2,2,6,6-tetramethylheptane (PubChem CID 169194475) has the molecular formula C11H26 and a molecular weight of 158.33 g/mol. Its IUPAC name is molecular hydrogen;2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Namemolecular hydrogen;2,2,6,6-tetramethylheptane
PubChem CID169194475
Molecular FormulaC11H26
Molecular Weight158.33 g/mol
Exact Mass158.20
IUPAC Namemolecular hydrogen;2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.[H][H]
InChIInChI=1S/C11H24.H2/c1-10(2,3)8-7-9-11(4,5)6;/h7-9H2,1-6H3;1H
InChIKeyYCYYSUMJIXJDEU-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2,2,6,6-tetramethylheptane;tritium monohydride
CID 158881033
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
4,4-dimethylpentan-1-amine
CID 14454757
2,2-dimethylhexane
CID 169424592
2-(4,4-dimethylpentyl)-2-(hydroxymethyl)propane-1,3-diol
CID 141028756
1-chloro-4,4-dimethylpentane
CID 524245
azane;2,2-dimethylhexane
CID 161105081
1-ethylsulfonyl-4,4-dimethylpentane
CID 11148231
potassium 4,4-dimethylpentan-1-olate
CID 175567265
4,4-dimethylpentan-1-ol;tungsten
CID 140674577
1-bromo-7,7-dimethyloctane
CID 18985391

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2,2,6,6-tetramethylheptane?
The IUPAC name of molecular hydrogen;2,2,6,6-tetramethylheptane (CID 169194475) is molecular hydrogen;2,2,6,6-tetramethylheptane.
What is the SMILES notation for molecular hydrogen;2,2,6,6-tetramethylheptane?
The canonical SMILES for molecular hydrogen;2,2,6,6-tetramethylheptane is CC(C)(C)CCCC(C)(C)C.[H][H].
What is the InChIKey of molecular hydrogen;2,2,6,6-tetramethylheptane?
The InChIKey is YCYYSUMJIXJDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.H2/c1-10(2,3)8-7-9-11(4,5)6;/h7-9H2,1-6H3;1H.
What are the key properties of molecular hydrogen;2,2,6,6-tetramethylheptane?
molecular hydrogen;2,2,6,6-tetramethylheptane has a molecular weight of 158.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2,2,6,6-tetramethylheptane is sourced from PubChem (CID 169194475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).