deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane

C16H32 — CID 158876581

IUPACdeuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane
SMILESCC.CC.Cc1cccc(C)c1C(C)C.[2H]C
InChIInChI=1S/C11H16.2C2H6.CH4/c1-8(2)11-9(3)6-5-7-10(11)4;2*1-2;/h5-8H,1-4H3;2*1-2H3;1H4/i;;;1D
InChIKeyJCMYFYQUKHWGFV-PBJKEDEQSA-N
MW225.44 g/mol
LogP6.12
Rot. Bonds1

About deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane

deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane (PubChem CID 158876581) has the molecular formula C16H32 and a molecular weight of 225.44 g/mol. Its IUPAC name is deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane.

Molecular Properties

Compound Namedeuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane
PubChem CID158876581
Molecular FormulaC16H32
Molecular Weight225.44 g/mol
Exact Mass225.26
IUPAC Namedeuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane
SMILESCC.CC.Cc1cccc(C)c1C(C)C.[2H]C
InChIInChI=1S/C11H16.2C2H6.CH4/c1-8(2)11-9(3)6-5-7-10(11)4;2*1-2;/h5-8H,1-4H3;2*1-2H3;1H4/i;;;1D
InChIKeyJCMYFYQUKHWGFV-PBJKEDEQSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.44
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
1-methyl-3-(3-methyl-2-propan-2-ylphenoxy)-2-propan-2-ylbenzene
CID 70475927
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;ethane;methane
CID 160607866
1-(2,2-difluoroethyl)-3-methyl-2-propan-2-ylbenzene
CID 146481615
1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
CID 18968375
1-butyl-3-methyl-2-propan-2-ylbenzene
CID 123934054
5-methyl-1,2,3,4-tetra(propan-2-yl)naphthalene
CID 173282541
1,3-dimethyl-2-propan-2-ylbenzene;(2S,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene
CID 157455985
ethane;methane;pentakis(1,2-xylene)
CID 158909718
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
N-[1-(2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 130674214

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane?
The IUPAC name of deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane (CID 158876581) is deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane.
What is the SMILES notation for deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane?
The canonical SMILES for deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane is CC.CC.Cc1cccc(C)c1C(C)C.[2H]C.
What is the InChIKey of deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane?
The InChIKey is JCMYFYQUKHWGFV-PBJKEDEQSA-N. The full InChI is InChI=1S/C11H16.2C2H6.CH4/c1-8(2)11-9(3)6-5-7-10(11)4;2*1-2;/h5-8H,1-4H3;2*1-2H3;1H4/i;;;1D.
What are the key properties of deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane?
deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane has a molecular weight of 225.44 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane is sourced from PubChem (CID 158876581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).