(1E)-cyclododecene-1-carbaldehyde

C13H22O — CID 12627942

IUPAC(1E)-cyclododecene-1-carbaldehyde
SMILESO=C/C1=C/CCCCCCCCCC1
InChIInChI=1S/C13H22O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10,12H,1-9,11H2/b13-10+
InChIKeyNZYGNIHIMRXHJS-JLHYYAGUSA-N
MW194.32 g/mol
LogP4.03
Rot. Bonds1

About (1E)-cyclododecene-1-carbaldehyde

(1E)-cyclododecene-1-carbaldehyde (PubChem CID 12627942) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1E)-cyclododecene-1-carbaldehyde.

Molecular Properties

Compound Name(1E)-cyclododecene-1-carbaldehyde
PubChem CID12627942
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1E)-cyclododecene-1-carbaldehyde
SMILESO=C/C1=C/CCCCCCCCCC1
InChIInChI=1S/C13H22O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10,12H,1-9,11H2/b13-10+
InChIKeyNZYGNIHIMRXHJS-JLHYYAGUSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-cyclododecene-1-carbaldehyde?
The IUPAC name of (1E)-cyclododecene-1-carbaldehyde (CID 12627942) is (1E)-cyclododecene-1-carbaldehyde.
What is the SMILES notation for (1E)-cyclododecene-1-carbaldehyde?
The canonical SMILES for (1E)-cyclododecene-1-carbaldehyde is O=C/C1=C/CCCCCCCCCC1.
What is the InChIKey of (1E)-cyclododecene-1-carbaldehyde?
The InChIKey is NZYGNIHIMRXHJS-JLHYYAGUSA-N. The full InChI is InChI=1S/C13H22O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10,12H,1-9,11H2/b13-10+.
What are the key properties of (1E)-cyclododecene-1-carbaldehyde?
(1E)-cyclododecene-1-carbaldehyde has a molecular weight of 194.32 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-cyclododecene-1-carbaldehyde is sourced from PubChem (CID 12627942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).