1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene

C19H28 — CID 18008539

IUPAC1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene
SMILESCC1=CC(C)(CC2(C)C=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C19H28/c1-12-9-18(7,16(5)14(12)3)11-19(8)10-13(2)15(4)17(19)6/h9-10H,11H2,1-8H3
InChIKeyFSBJUWIZMBJJIB-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.98
Rot. Bonds2

About 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene

1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene (PubChem CID 18008539) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene
PubChem CID18008539
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene
SMILESCC1=CC(C)(CC2(C)C=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C19H28/c1-12-9-18(7,16(5)14(12)3)11-19(8)10-13(2)15(4)17(19)6/h9-10H,11H2,1-8H3
InChIKeyFSBJUWIZMBJJIB-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene (CID 18008539) is 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene is CC1=CC(C)(CC2(C)C=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene?
The InChIKey is FSBJUWIZMBJJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-12-9-18(7,16(5)14(12)3)11-19(8)10-13(2)15(4)17(19)6/h9-10H,11H2,1-8H3.
What are the key properties of 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene?
1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene has a molecular weight of 256.43 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-5-[(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-diene is sourced from PubChem (CID 18008539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).