(1E)-1-methoxycyclododecene

C13H24O — CID 5463037

IUPAC(1E)-1-methoxycyclododecene
SMILESCO/C1=C/CCCCCCCCCC1
InChIInChI=1S/C13H24O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3/b13-11+
InChIKeyQKXCGPJJHMULFJ-ACCUITESSA-N
MW196.33 g/mol
LogP4.43
Rot. Bonds1

About (1E)-1-methoxycyclododecene

(1E)-1-methoxycyclododecene (PubChem CID 5463037) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1E)-1-methoxycyclododecene.

Molecular Properties

Compound Name(1E)-1-methoxycyclododecene
PubChem CID5463037
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1E)-1-methoxycyclododecene
SMILESCO/C1=C/CCCCCCCCCC1
InChIInChI=1S/C13H24O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3/b13-11+
InChIKeyQKXCGPJJHMULFJ-ACCUITESSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-methoxycyclododecene?
The IUPAC name of (1E)-1-methoxycyclododecene (CID 5463037) is (1E)-1-methoxycyclododecene.
What is the SMILES notation for (1E)-1-methoxycyclododecene?
The canonical SMILES for (1E)-1-methoxycyclododecene is CO/C1=C/CCCCCCCCCC1.
What is the InChIKey of (1E)-1-methoxycyclododecene?
The InChIKey is QKXCGPJJHMULFJ-ACCUITESSA-N. The full InChI is InChI=1S/C13H24O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3/b13-11+.
What are the key properties of (1E)-1-methoxycyclododecene?
(1E)-1-methoxycyclododecene has a molecular weight of 196.33 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-methoxycyclododecene is sourced from PubChem (CID 5463037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).