cyclododecene

C12H22 — CID 637538

IUPACcyclododecene
SMILESC1=C\CCCCCCCCCC/1
InChIInChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
InChIKeyHYPABJGVBDSCIT-UPHRSURJSA-N
MW166.31 g/mol
LogP4.46
Rot. Bonds

About cyclododecene

cyclododecene (PubChem CID 637538) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is cyclododecene.

Molecular Properties

Compound Namecyclododecene
PubChem CID637538
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namecyclododecene
SMILESC1=C\CCCCCCCCCC/1
InChIInChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
InChIKeyHYPABJGVBDSCIT-UPHRSURJSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.46
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 cyclododecene?
The IUPAC name of cyclododecene (CID 637538) is cyclododecene.
What is the SMILES notation for cyclododecene?
The canonical SMILES for cyclododecene is C1=C\CCCCCCCCCC/1.
What is the InChIKey of cyclododecene?
The InChIKey is HYPABJGVBDSCIT-UPHRSURJSA-N. The full InChI is InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-.
What are the key properties of cyclododecene?
cyclododecene has a molecular weight of 166.31 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecene is sourced from PubChem (CID 637538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).