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

C21H32 — CID 18941814

IUPAC1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)(C)C(CC2=C(C)C(C)=C(C)C2(C)C)=C1C
InChIInChI=1S/C21H32/c1-12-14(3)18(20(7,8)16(12)5)11-19-15(4)13(2)17(6)21(19,9)10/h11H2,1-10H3
InChIKeyBWFOCUXRJJSDGL-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.76
Rot. Bonds2

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

1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene (PubChem CID 18941814) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
PubChem CID18941814
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
SMILESCC1=C(C)C(C)(C)C(CC2=C(C)C(C)=C(C)C2(C)C)=C1C
InChIInChI=1S/C21H32/c1-12-14(3)18(20(7,8)16(12)5)11-19-15(4)13(2)17(6)21(19,9)10/h11H2,1-10H3
InChIKeyBWFOCUXRJJSDGL-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene (CID 18941814) is 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene is CC1=C(C)C(C)(C)C(CC2=C(C)C(C)=C(C)C2(C)C)=C1C.
What is the InChIKey of 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
The InChIKey is BWFOCUXRJJSDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-12-14(3)18(20(7,8)16(12)5)11-19-15(4)13(2)17(6)21(19,9)10/h11H2,1-10H3.
What are the key properties of 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene?
1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene has a molecular weight of 284.49 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene is sourced from PubChem (CID 18941814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).