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

C9H14 — CID 572142

IUPAC1,2,5,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)(C)C=C1
InChIInChI=1S/C9H14/c1-7-5-6-9(3,4)8(7)2/h5-6H,1-4H3
InChIKeyFZQSOBIGZJECPN-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds

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

1,2,5,5-tetramethylcyclopenta-1,3-diene (PubChem CID 572142) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1,2,5,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,5,5-tetramethylcyclopenta-1,3-diene
PubChem CID572142
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1,2,5,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)(C)C=C1
InChIInChI=1S/C9H14/c1-7-5-6-9(3,4)8(7)2/h5-6H,1-4H3
InChIKeyFZQSOBIGZJECPN-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 1,2,5,5-tetramethylcyclopenta-1,3-diene (CID 572142) is 1,2,5,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,5,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,5,5-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(C)(C)C=C1.
What is the InChIKey of 1,2,5,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is FZQSOBIGZJECPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-7-5-6-9(3,4)8(7)2/h5-6H,1-4H3.
What are the key properties of 1,2,5,5-tetramethylcyclopenta-1,3-diene?
1,2,5,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 572142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).