2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene

C20H28 — CID 141239494

IUPAC2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene
SMILESCc1c(C(C)C)cccc1C1(C)C=CC(C(C)C)=CC1
InChIInChI=1S/C20H28/c1-14(2)17-10-12-20(6,13-11-17)19-9-7-8-18(15(3)4)16(19)5/h7-12,14-15H,13H2,1-6H3
InChIKeyZYTCQEAOXJOGQY-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.92
Rot. Bonds3

About 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene

2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene (PubChem CID 141239494) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene
PubChem CID141239494
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene
SMILESCc1c(C(C)C)cccc1C1(C)C=CC(C(C)C)=CC1
InChIInChI=1S/C20H28/c1-14(2)17-10-12-20(6,13-11-17)19-9-7-8-18(15(3)4)16(19)5/h7-12,14-15H,13H2,1-6H3
InChIKeyZYTCQEAOXJOGQY-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 134375617
2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol
CID 140996637
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
1-isocyano-2-methyl-3-propan-2-ylbenzene
CID 162773698
3,4,4-trimethyl-8-propan-2-yl-2,3-dihydro-1H-naphthalene
CID 144627105
1-methyl-2-propan-2-ylbenzene;2-methyl-3-propan-2-ylphenol
CID 159173733
1,8-dimethyl-2-propan-2-ylnaphthalene
CID 174870278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene?
The IUPAC name of 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene (CID 141239494) is 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene.
What is the SMILES notation for 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene?
The canonical SMILES for 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene is Cc1c(C(C)C)cccc1C1(C)C=CC(C(C)C)=CC1.
What is the InChIKey of 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene?
The InChIKey is ZYTCQEAOXJOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-14(2)17-10-12-20(6,13-11-17)19-9-7-8-18(15(3)4)16(19)5/h7-12,14-15H,13H2,1-6H3.
What are the key properties of 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene?
2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene has a molecular weight of 268.44 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylbenzene is sourced from PubChem (CID 141239494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).