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

C10H15- — CID 22603736

IUPAC1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C
InChIInChI=1S/C10H15/c1-7-6-10(4,5)9(3)8(7)2/h1-5H3/q-1
InChIKeyHOPOOEYIIVRLMA-UHFFFAOYSA-N
MW135.23 g/mol
LogP3.11
Rot. Bonds

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

1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 22603736) has the molecular formula C10H15- and a molecular weight of 135.23 g/mol. Its IUPAC name is 1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID22603736
Molecular FormulaC10H15-
Molecular Weight135.23 g/mol
Exact Mass135.12
IUPAC Name1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C
InChIInChI=1S/C10H15/c1-7-6-10(4,5)9(3)8(7)2/h1-5H3/q-1
InChIKeyHOPOOEYIIVRLMA-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 22603736) is 1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5,5-pentamethylcyclopenta-1,3-diene is CC1=[C-]C(C)(C)C(C)=C1C.
What is the InChIKey of 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is HOPOOEYIIVRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15/c1-7-6-10(4,5)9(3)8(7)2/h1-5H3/q-1.
What are the key properties of 1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 135.23 g/mol, XLogP of 3.11, 0 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-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 22603736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).