2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane

C23H44 — CID 159235518

IUPAC2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
SMILESCC(C)(C)C.CC(C)(C)Cc1ccccc1.CC(C)C(C)(C)C
InChIInChI=1S/C11H16.C7H16.C5H12/c1-11(2,3)9-10-7-5-4-6-8-10;1-6(2)7(3,4)5;1-5(2,3)4/h4-8H,9H2,1-3H3;6H,1-5H3;1-4H3
InChIKeyKTKQAEYFMSRCAB-UHFFFAOYSA-N
MW320.61 g/mol
LogP8.02
Rot. Bonds1

About 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane

2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane (PubChem CID 159235518) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
PubChem CID159235518
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane
SMILESCC(C)(C)C.CC(C)(C)Cc1ccccc1.CC(C)C(C)(C)C
InChIInChI=1S/C11H16.C7H16.C5H12/c1-11(2,3)9-10-7-5-4-6-8-10;1-6(2)7(3,4)5;1-5(2,3)4/h4-8H,9H2,1-3H3;6H,1-5H3;1-4H3
InChIKeyKTKQAEYFMSRCAB-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpropylbenzene;methanol
CID 157125736
(2,2-dimethyl-1-phenylpropyl)benzene;2,2-dimethylpropylbenzene
CID 158424284
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
(2R)-2-benzyl-2,4-dimethylpentanoyl chloride
CID 146469685
[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
CID 169096985
tert-butyl 2,2-dimethylpropanoate;2,2-dimethylpropylbenzene;methane
CID 158149766
[3-(2,2-dimethylpropyl)phenyl]-triphenylsilane
CID 174021636
2,2,4,4-tetramethyl-1-phenylpentan-3-ol
CID 57049291
[2,2-bis(chloromethyl)-3-methylbutyl]benzene
CID 79447601
dibenzyl-tert-butyl-(2,2-dimethylpropyl)phosphanium
CID 173031877

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane?
The IUPAC name of 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane (CID 159235518) is 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane.
What is the SMILES notation for 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane?
The canonical SMILES for 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane is CC(C)(C)C.CC(C)(C)Cc1ccccc1.CC(C)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane?
The InChIKey is KTKQAEYFMSRCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C7H16.C5H12/c1-11(2,3)9-10-7-5-4-6-8-10;1-6(2)7(3,4)5;1-5(2,3)4/h4-8H,9H2,1-3H3;6H,1-5H3;1-4H3.
What are the key properties of 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane?
2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane has a molecular weight of 320.61 g/mol, XLogP of 8.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;2,2-dimethylpropylbenzene;2,2,3-trimethylbutane is sourced from PubChem (CID 159235518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).