5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene

C12H16 — CID 53446721

IUPAC5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene
SMILESCC1(C2=CCCC2)C=CC=CC1
InChIInChI=1S/C12H16/c1-12(9-5-2-6-10-12)11-7-3-4-8-11/h2,5-7,9H,3-4,8,10H2,1H3
InChIKeyKOZSLGUBMMPLIT-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds1

About 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene

5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene (PubChem CID 53446721) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene
PubChem CID53446721
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene
SMILESCC1(C2=CCCC2)C=CC=CC1
InChIInChI=1S/C12H16/c1-12(9-5-2-6-10-12)11-7-3-4-8-11/h2,5-7,9H,3-4,8,10H2,1H3
InChIKeyKOZSLGUBMMPLIT-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
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 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene (CID 53446721) is 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene is CC1(C2=CCCC2)C=CC=CC1.
What is the InChIKey of 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene?
The InChIKey is KOZSLGUBMMPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-12(9-5-2-6-10-12)11-7-3-4-8-11/h2,5-7,9H,3-4,8,10H2,1H3.
What are the key properties of 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene?
5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene has a molecular weight of 160.26 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenten-1-yl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 53446721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).