ethane;2-methylpropylbenzene

C16H32 — CID 162200929

IUPACethane;2-methylpropylbenzene
SMILESCC.CC.CC.CC(C)Cc1ccccc1
InChIInChI=1S/C10H14.3C2H6/c1-9(2)8-10-6-4-3-5-7-10;3*1-2/h3-7,9H,8H2,1-2H3;3*1-2H3
InChIKeyZROLYRMYIFHGNW-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.96
Rot. Bonds2

About ethane;2-methylpropylbenzene

ethane;2-methylpropylbenzene (PubChem CID 162200929) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is ethane;2-methylpropylbenzene.

Molecular Properties

Compound Nameethane;2-methylpropylbenzene
PubChem CID162200929
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Nameethane;2-methylpropylbenzene
SMILESCC.CC.CC.CC(C)Cc1ccccc1
InChIInChI=1S/C10H14.3C2H6/c1-9(2)8-10-6-4-3-5-7-10;3*1-2/h3-7,9H,8H2,1-2H3;3*1-2H3
InChIKeyZROLYRMYIFHGNW-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
formic acid;2-methylpropylbenzene
CID 162001374
methane;2-methylpropylbenzene;pentane
CID 162015938
1-deuterio-2-(2-methylpropyl)benzene
CID 18666415
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
ethane;2-methylpropylbenzene;2-methylpropylsulfonylbenzene
CID 160599750
3-methyl-1-methylsulfanylbutane;2-methylpropylbenzene
CID 159689951
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2-benzyl-3-methylbutyl)benzene
CID 22277918

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropylbenzene?
The IUPAC name of ethane;2-methylpropylbenzene (CID 162200929) is ethane;2-methylpropylbenzene.
What is the SMILES notation for ethane;2-methylpropylbenzene?
The canonical SMILES for ethane;2-methylpropylbenzene is CC.CC.CC.CC(C)Cc1ccccc1.
What is the InChIKey of ethane;2-methylpropylbenzene?
The InChIKey is ZROLYRMYIFHGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3C2H6/c1-9(2)8-10-6-4-3-5-7-10;3*1-2/h3-7,9H,8H2,1-2H3;3*1-2H3.
What are the key properties of ethane;2-methylpropylbenzene?
ethane;2-methylpropylbenzene has a molecular weight of 224.43 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropylbenzene is sourced from PubChem (CID 162200929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).