but-3-enylcyclododecane

C16H30 — CID 54074675

IUPACbut-3-enylcyclododecane
SMILESC=CCCC1CCCCCCCCCCC1
InChIInChI=1S/C16H30/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h2,16H,1,3-15H2
InChIKeyXNAPSDVLLZAUTH-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.87
Rot. Bonds3

About but-3-enylcyclododecane

but-3-enylcyclododecane (PubChem CID 54074675) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is but-3-enylcyclododecane.

Molecular Properties

Compound Namebut-3-enylcyclododecane
PubChem CID54074675
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Namebut-3-enylcyclododecane
SMILESC=CCCC1CCCCCCCCCCC1
InChIInChI=1S/C16H30/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h2,16H,1,3-15H2
InChIKeyXNAPSDVLLZAUTH-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.87
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 but-3-enylcyclododecane?
The IUPAC name of but-3-enylcyclododecane (CID 54074675) is but-3-enylcyclododecane.
What is the SMILES notation for but-3-enylcyclododecane?
The canonical SMILES for but-3-enylcyclododecane is C=CCCC1CCCCCCCCCCC1.
What is the InChIKey of but-3-enylcyclododecane?
The InChIKey is XNAPSDVLLZAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-2-3-13-16-14-11-9-7-5-4-6-8-10-12-15-16/h2,16H,1,3-15H2.
What are the key properties of but-3-enylcyclododecane?
but-3-enylcyclododecane has a molecular weight of 222.42 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylcyclododecane is sourced from PubChem (CID 54074675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).