1,2,3,5-tetramethylcyclopenta-1,3-diene

C9H13- — CID 5069407

IUPAC1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCc1c[c-](C)c(C)c1C
InChIInChI=1S/C9H13/c1-6-5-7(2)9(4)8(6)3/h5H,1-4H3/q-1
InChIKeyDERCBVPCARWVHV-UHFFFAOYSA-N
MW121.20 g/mol
LogP2.64
Rot. Bonds

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

1,2,3,5-tetramethylcyclopenta-1,3-diene (PubChem CID 5069407) has the molecular formula C9H13- and a molecular weight of 121.20 g/mol. Its IUPAC name is 1,2,3,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,5-tetramethylcyclopenta-1,3-diene
PubChem CID5069407
Molecular FormulaC9H13-
Molecular Weight121.20 g/mol
Exact Mass121.10
IUPAC Name1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCc1c[c-](C)c(C)c1C
InChIInChI=1S/C9H13/c1-6-5-7(2)9(4)8(6)3/h5H,1-4H3/q-1
InChIKeyDERCBVPCARWVHV-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 52.64
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-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,5-tetramethylcyclopenta-1,3-diene (CID 5069407) is 1,2,3,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,5-tetramethylcyclopenta-1,3-diene is Cc1c[c-](C)c(C)c1C.
What is the InChIKey of 1,2,3,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is DERCBVPCARWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13/c1-6-5-7(2)9(4)8(6)3/h5H,1-4H3/q-1.
What are the key properties of 1,2,3,5-tetramethylcyclopenta-1,3-diene?
1,2,3,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 121.20 g/mol, XLogP of 2.64, 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-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 5069407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).