1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene

C19H26 — CID 158476538

IUPAC1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene
SMILESCC1=CC=CC1.CC1=CCCC1.Cc1ccccc1
InChIInChI=1S/C7H8.C6H10.C6H8/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6/h2-6H,1H3;4H,2-3,5H2,1H3;2-4H,5H2,1H3
InChIKeyHGZVVFYPBBGEQZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP6.00
Rot. Bonds

About 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene

1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene (PubChem CID 158476538) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene.

Molecular Properties

Compound Name1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene
PubChem CID158476538
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene
SMILESCC1=CC=CC1.CC1=CCCC1.Cc1ccccc1
InChIInChI=1S/C7H8.C6H10.C6H8/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6/h2-6H,1H3;4H,2-3,5H2,1H3;2-4H,5H2,1H3
InChIKeyHGZVVFYPBBGEQZ-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene?
The IUPAC name of 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene (CID 158476538) is 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene.
What is the SMILES notation for 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene?
The canonical SMILES for 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene is CC1=CC=CC1.CC1=CCCC1.Cc1ccccc1.
What is the InChIKey of 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene?
The InChIKey is HGZVVFYPBBGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H10.C6H8/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6/h2-6H,1H3;4H,2-3,5H2,1H3;2-4H,5H2,1H3.
What are the key properties of 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene?
1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene has a molecular weight of 254.42 g/mol, XLogP of 6.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopenta-1,3-diene;1-methylcyclopentene;toluene is sourced from PubChem (CID 158476538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).