cyclododecyl prop-2-enoate

C15H26O2 — CID 14971010

IUPACcyclododecyl prop-2-enoate
SMILESC=CC(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C15H26O2/c1-2-15(16)17-14-12-10-8-6-4-3-5-7-9-11-13-14/h2,14H,1,3-13H2
InChIKeyOLYPZOMHOKXSGU-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.39
Rot. Bonds2

About cyclododecyl prop-2-enoate

cyclododecyl prop-2-enoate (PubChem CID 14971010) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is cyclododecyl prop-2-enoate.

Molecular Properties

Compound Namecyclododecyl prop-2-enoate
PubChem CID14971010
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namecyclododecyl prop-2-enoate
SMILESC=CC(=O)OC1CCCCCCCCCCC1
InChIInChI=1S/C15H26O2/c1-2-15(16)17-14-12-10-8-6-4-3-5-7-9-11-13-14/h2,14H,1,3-13H2
InChIKeyOLYPZOMHOKXSGU-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclododecyl prop-2-enoate?
The IUPAC name of cyclododecyl prop-2-enoate (CID 14971010) is cyclododecyl prop-2-enoate.
What is the SMILES notation for cyclododecyl prop-2-enoate?
The canonical SMILES for cyclododecyl prop-2-enoate is C=CC(=O)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl prop-2-enoate?
The InChIKey is OLYPZOMHOKXSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-15(16)17-14-12-10-8-6-4-3-5-7-9-11-13-14/h2,14H,1,3-13H2.
What are the key properties of cyclododecyl prop-2-enoate?
cyclododecyl prop-2-enoate has a molecular weight of 238.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl prop-2-enoate is sourced from PubChem (CID 14971010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).