3-prop-2-enylcyclododecene

C15H26 — CID 173111720

IUPAC3-prop-2-enylcyclododecene
SMILESC=CCC1C=CCCCCCCCCC1
InChIInChI=1S/C15H26/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h2,10,13,15H,1,3-9,11-12,14H2
InChIKeyYCLUUSISZWLENJ-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.26
Rot. Bonds2

About 3-prop-2-enylcyclododecene

3-prop-2-enylcyclododecene (PubChem CID 173111720) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 3-prop-2-enylcyclododecene.

Molecular Properties

Compound Name3-prop-2-enylcyclododecene
PubChem CID173111720
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name3-prop-2-enylcyclododecene
SMILESC=CCC1C=CCCCCCCCCC1
InChIInChI=1S/C15H26/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h2,10,13,15H,1,3-9,11-12,14H2
InChIKeyYCLUUSISZWLENJ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-prop-2-enylcyclododecene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylcyclododecene?
The IUPAC name of 3-prop-2-enylcyclododecene (CID 173111720) is 3-prop-2-enylcyclododecene.
What is the SMILES notation for 3-prop-2-enylcyclododecene?
The canonical SMILES for 3-prop-2-enylcyclododecene is C=CCC1C=CCCCCCCCCC1.
What is the InChIKey of 3-prop-2-enylcyclododecene?
The InChIKey is YCLUUSISZWLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-2-12-15-13-10-8-6-4-3-5-7-9-11-14-15/h2,10,13,15H,1,3-9,11-12,14H2.
What are the key properties of 3-prop-2-enylcyclododecene?
3-prop-2-enylcyclododecene has a molecular weight of 206.37 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylcyclododecene is sourced from PubChem (CID 173111720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).