1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene

C17H22 — CID 144712629

IUPAC1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
SMILESCC1=C(c2c(C)c(C)c(C)c(C)c2C)C=CC1
InChIInChI=1S/C17H22/c1-10-8-7-9-16(10)17-14(5)12(3)11(2)13(4)15(17)6/h7,9H,8H2,1-6H3
InChIKeyARWDQHBDRJDJGF-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.96
Rot. Bonds1

About 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene

1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 144712629) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID144712629
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
SMILESCC1=C(c2c(C)c(C)c(C)c(C)c2C)C=CC1
InChIInChI=1S/C17H22/c1-10-8-7-9-16(10)17-14(5)12(3)11(2)13(4)15(17)6/h7,9H,8H2,1-6H3
InChIKeyARWDQHBDRJDJGF-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene;2,3,4-trimethylpenta-1,3-diene
CID 144712628
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
1-methyl-2-propan-2-ylcyclopenta-1,3-diene
CID 12500117
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
N,2-dimethylcyclopenta-1,4-dien-1-amine;ethane
CID 123802407
azetidine;1,2-dimethylcyclopenta-1,3-diene
CID 174436418
CID 161173679
CID 161173679
1-methyl-2-(3-methylpent-1-en-3-yl)cyclopenta-1,3-diene
CID 144803270
2-(3-ethylhexan-3-yl)-1-methylcyclopenta-1,3-diene
CID 143498372
trimethyl-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]silane
CID 67579559

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene (CID 144712629) is 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene is CC1=C(c2c(C)c(C)c(C)c(C)c2C)C=CC1.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is ARWDQHBDRJDJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-10-8-7-9-16(10)17-14(5)12(3)11(2)13(4)15(17)6/h7,9H,8H2,1-6H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene?
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 226.36 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 144712629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).