ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene

C16H30 — CID 144724990

IUPACethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
SMILESC.CC.CC(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20.C2H6.CH4/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-2;/h5-8,10-11H,9H2,1-4H3;1-2H3;1H4
InChIKeySVRGHDGOBTYHTM-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.67
Rot. Bonds3

About ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene

ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene (PubChem CID 144724990) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
PubChem CID144724990
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Nameethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
SMILESC.CC.CC(C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20.C2H6.CH4/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-2;/h5-8,10-11H,9H2,1-4H3;1-2H3;1H4
InChIKeySVRGHDGOBTYHTM-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
ethane;4-(2-methylpropyl)benzenethiol
CID 143751683
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
ethane;2-methylpropylbenzene
CID 162200929
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
CID 89412455

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene?
The IUPAC name of ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene (CID 144724990) is ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene?
The canonical SMILES for ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene is C.CC.CC(C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene?
The InChIKey is SVRGHDGOBTYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H6.CH4/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-2;/h5-8,10-11H,9H2,1-4H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene?
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene has a molecular weight of 222.42 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 144724990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).