cyclohexene

C6H10 — CID 8079

IUPACcyclohexene
SMILESC1=CCCCC1
InChIInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
InChIKeyHGCIXCUEYOPUTN-UHFFFAOYSA-N
MW82.15 g/mol
LogP2.12
Rot. Bonds

About cyclohexene

cyclohexene (PubChem CID 8079) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is cyclohexene.

Molecular Properties

Compound Namecyclohexene
PubChem CID8079
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Namecyclohexene
SMILESC1=CCCCC1
InChIInChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
InChIKeyHGCIXCUEYOPUTN-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 52.12
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 cyclohexene?
The IUPAC name of cyclohexene (CID 8079) is cyclohexene.
What is the SMILES notation for cyclohexene?
The canonical SMILES for cyclohexene is C1=CCCCC1.
What is the InChIKey of cyclohexene?
The InChIKey is HGCIXCUEYOPUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2.
What are the key properties of cyclohexene?
cyclohexene has a molecular weight of 82.15 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene is sourced from PubChem (CID 8079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).