ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene

C16H28 — CID 142526423

IUPACethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
SMILESC.C=C.Cc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C13H20.C2H4.CH4/c1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-2;/h6-10H,1-5H3;1-2H2;1H4
InChIKeyQFACNLDHBCTXTD-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.68
Rot. Bonds2

About ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene

ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene (PubChem CID 142526423) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Nameethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
PubChem CID142526423
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
SMILESC.C=C.Cc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C13H20.C2H4.CH4/c1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-2;/h6-10H,1-5H3;1-2H2;1H4
InChIKeyQFACNLDHBCTXTD-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
CID 174706282
1-isocyano-2-methyl-3-propan-2-ylbenzene
CID 162773698
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733
1,2-dimethyl-3-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane
CID 142540260
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
CID 177342998
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
CID 136741886
CID 136741886
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
2-methyl-6-propan-2-ylaniline
CID 162117439
2,6-di(propan-2-yl)phenol;silver
CID 174803720

Frequently Asked Questions

What is the IUPAC name of ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene?
The IUPAC name of ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene (CID 142526423) is ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene?
The canonical SMILES for ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene is C.C=C.Cc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene?
The InChIKey is QFACNLDHBCTXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C2H4.CH4/c1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-2;/h6-10H,1-5H3;1-2H2;1H4.
What are the key properties of ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene?
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene has a molecular weight of 220.40 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 142526423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).