2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane

C19H36 — CID 142581096

IUPAC2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
SMILESCC.CC(C)C(C)(C)c1ccccc1.CCC(C)C
InChIInChI=1S/C12H18.C5H12.C2H6/c1-10(2)12(3,4)11-8-6-5-7-9-11;1-4-5(2)3;1-2/h5-10H,1-4H3;5H,4H2,1-3H3;1-2H3
InChIKeyRZGDLPJOBQNHAI-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.70
Rot. Bonds3

About 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane

2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane (PubChem CID 142581096) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
PubChem CID142581096
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
SMILESCC.CC(C)C(C)(C)c1ccccc1.CCC(C)C
InChIInChI=1S/C12H18.C5H12.C2H6/c1-10(2)12(3,4)11-8-6-5-7-9-11;1-4-5(2)3;1-2/h5-10H,1-4H3;5H,4H2,1-3H3;1-2H3
InChIKeyRZGDLPJOBQNHAI-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
CID 145287481
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
ethane;3-methylpentan-3-ylbenzene
CID 90745317
1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
CID 143658209
N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
ethane;2-methylbutane;triphenylsulfanium
CID 165080585
1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
CID 142109558
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
2,3,5-trimethylhexan-3-ylbenzene
CID 123149580
tert-butylbenzene;3-ethyl-2-methylpentane
CID 177346689
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
2-chlorobutan-2-ylbenzene;ethane
CID 123404536

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane?
The IUPAC name of 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane (CID 142581096) is 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane.
What is the SMILES notation for 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane?
The canonical SMILES for 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane is CC.CC(C)C(C)(C)c1ccccc1.CCC(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane?
The InChIKey is RZGDLPJOBQNHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C5H12.C2H6/c1-10(2)12(3,4)11-8-6-5-7-9-11;1-4-5(2)3;1-2/h5-10H,1-4H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane?
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane has a molecular weight of 264.50 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane is sourced from PubChem (CID 142581096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).