3-(2-methylcyclopropyl)cyclohexa-1,4-diene

C10H14 — CID 163922418

IUPAC3-(2-methylcyclopropyl)cyclohexa-1,4-diene
SMILESCC1CC1C1C=CCC=C1
InChIInChI=1S/C10H14/c1-8-7-10(8)9-5-3-2-4-6-9/h3-6,8-10H,2,7H2,1H3
InChIKeyRBODQAFZKNUEIT-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.77
Rot. Bonds1

About 3-(2-methylcyclopropyl)cyclohexa-1,4-diene

3-(2-methylcyclopropyl)cyclohexa-1,4-diene (PubChem CID 163922418) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)cyclohexa-1,4-diene
PubChem CID163922418
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-(2-methylcyclopropyl)cyclohexa-1,4-diene
SMILESCC1CC1C1C=CCC=C1
InChIInChI=1S/C10H14/c1-8-7-10(8)9-5-3-2-4-6-9/h3-6,8-10H,2,7H2,1H3
InChIKeyRBODQAFZKNUEIT-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.77
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 3-(2-methylcyclopropyl)cyclohexa-1,4-diene?
The IUPAC name of 3-(2-methylcyclopropyl)cyclohexa-1,4-diene (CID 163922418) is 3-(2-methylcyclopropyl)cyclohexa-1,4-diene.
What is the SMILES notation for 3-(2-methylcyclopropyl)cyclohexa-1,4-diene?
The canonical SMILES for 3-(2-methylcyclopropyl)cyclohexa-1,4-diene is CC1CC1C1C=CCC=C1.
What is the InChIKey of 3-(2-methylcyclopropyl)cyclohexa-1,4-diene?
The InChIKey is RBODQAFZKNUEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-8-7-10(8)9-5-3-2-4-6-9/h3-6,8-10H,2,7H2,1H3.
What are the key properties of 3-(2-methylcyclopropyl)cyclohexa-1,4-diene?
3-(2-methylcyclopropyl)cyclohexa-1,4-diene has a molecular weight of 134.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)cyclohexa-1,4-diene is sourced from PubChem (CID 163922418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).