1,2,4,5,5-pentamethylcyclopenta-1,3-diene

C10H16 — CID 19958028

IUPAC1,2,4,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=CC(C)=C(C)C1(C)C
InChIInChI=1S/C10H16/c1-7-6-8(2)10(4,5)9(7)3/h6H,1-5H3
InChIKeyGQZYZGMCKXBNJZ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds

About 1,2,4,5,5-pentamethylcyclopenta-1,3-diene

1,2,4,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 19958028) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,2,4,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,4,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID19958028
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,2,4,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=CC(C)=C(C)C1(C)C
InChIInChI=1S/C10H16/c1-7-6-8(2)10(4,5)9(7)3/h6H,1-5H3
InChIKeyGQZYZGMCKXBNJZ-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 1,2,4,5,5-pentamethylcyclopenta-1,3-diene (CID 19958028) is 1,2,4,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,4,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,4,5,5-pentamethylcyclopenta-1,3-diene is CC1=CC(C)=C(C)C1(C)C.
What is the InChIKey of 1,2,4,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is GQZYZGMCKXBNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-6-8(2)10(4,5)9(7)3/h6H,1-5H3.
What are the key properties of 1,2,4,5,5-pentamethylcyclopenta-1,3-diene?
1,2,4,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 19958028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).