1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene

C12H14 — CID 59165307

IUPAC1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C)C2)C1
InChIInChI=1S/C12H14/c1-9-3-5-11(7-9)12-6-4-10(2)8-12/h3-6H,7-8H2,1-2H3
InChIKeyODMUTQFUYIBZQW-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.54
Rot. Bonds1

About 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene

1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene (PubChem CID 59165307) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
PubChem CID59165307
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
SMILESCC1=CC=C(C2=CC=C(C)C2)C1
InChIInChI=1S/C12H14/c1-9-3-5-11(7-9)12-6-4-10(2)8-12/h3-6H,7-8H2,1-2H3
InChIKeyODMUTQFUYIBZQW-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene (CID 59165307) is 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene is CC1=CC=C(C2=CC=C(C)C2)C1.
What is the InChIKey of 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
The InChIKey is ODMUTQFUYIBZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-3-5-11(7-9)12-6-4-10(2)8-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene?
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene has a molecular weight of 158.24 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 59165307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).