1,4-dimethylcyclopenta-1,3-diene

C7H10 — CID 13299177

IUPAC1,4-dimethylcyclopenta-1,3-diene
SMILESCC1=CC=C(C)C1
InChIInChI=1S/C7H10/c1-6-3-4-7(2)5-6/h3-4H,5H2,1-2H3
InChIKeyPBCAWBWOXBDOMC-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.28
Rot. Bonds

About 1,4-dimethylcyclopenta-1,3-diene

1,4-dimethylcyclopenta-1,3-diene (PubChem CID 13299177) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 1,4-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,4-dimethylcyclopenta-1,3-diene
PubChem CID13299177
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name1,4-dimethylcyclopenta-1,3-diene
SMILESCC1=CC=C(C)C1
InChIInChI=1S/C7H10/c1-6-3-4-7(2)5-6/h3-4H,5H2,1-2H3
InChIKeyPBCAWBWOXBDOMC-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclopenta-1,3-diene?
The IUPAC name of 1,4-dimethylcyclopenta-1,3-diene (CID 13299177) is 1,4-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 1,4-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 1,4-dimethylcyclopenta-1,3-diene is CC1=CC=C(C)C1.
What is the InChIKey of 1,4-dimethylcyclopenta-1,3-diene?
The InChIKey is PBCAWBWOXBDOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-6-3-4-7(2)5-6/h3-4H,5H2,1-2H3.
What are the key properties of 1,4-dimethylcyclopenta-1,3-diene?
1,4-dimethylcyclopenta-1,3-diene has a molecular weight of 94.16 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 13299177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).