ethenoxycyclododecane

C14H26O — CID 22467885

IUPACethenoxycyclododecane
SMILESC=COC1CCCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-2-15-14-12-10-8-6-4-3-5-7-9-11-13-14/h2,14H,1,3-13H2
InChIKeyNXCKTRPGOIZXLG-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.82
Rot. Bonds2

About ethenoxycyclododecane

ethenoxycyclododecane (PubChem CID 22467885) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is ethenoxycyclododecane.

Molecular Properties

Compound Nameethenoxycyclododecane
PubChem CID22467885
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Nameethenoxycyclododecane
SMILESC=COC1CCCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-2-15-14-12-10-8-6-4-3-5-7-9-11-13-14/h2,14H,1,3-13H2
InChIKeyNXCKTRPGOIZXLG-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxycyclododecane?
The IUPAC name of ethenoxycyclododecane (CID 22467885) is ethenoxycyclododecane.
What is the SMILES notation for ethenoxycyclododecane?
The canonical SMILES for ethenoxycyclododecane is C=COC1CCCCCCCCCCC1.
What is the InChIKey of ethenoxycyclododecane?
The InChIKey is NXCKTRPGOIZXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-2-15-14-12-10-8-6-4-3-5-7-9-11-13-14/h2,14H,1,3-13H2.
What are the key properties of ethenoxycyclododecane?
ethenoxycyclododecane has a molecular weight of 210.36 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxycyclododecane is sourced from PubChem (CID 22467885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).