6-ethenyldecanal

C12H22O — CID 18790893

IUPAC6-ethenyldecanal
SMILESC=CC(CCCC)CCCCC=O
InChIInChI=1S/C12H22O/c1-3-5-9-12(4-2)10-7-6-8-11-13/h4,11-12H,2-3,5-10H2,1H3
InChIKeyYHRGBKWOOWICTD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.74
Rot. Bonds9

About 6-ethenyldecanal

6-ethenyldecanal (PubChem CID 18790893) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-ethenyldecanal.

Molecular Properties

Compound Name6-ethenyldecanal
PubChem CID18790893
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-ethenyldecanal
SMILESC=CC(CCCC)CCCCC=O
InChIInChI=1S/C12H22O/c1-3-5-9-12(4-2)10-7-6-8-11-13/h4,11-12H,2-3,5-10H2,1H3
InChIKeyYHRGBKWOOWICTD-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-ethenylnonadecane
CID 57244946
2-undecylpentadecanedial
CID 91207185
ethane;9-ethenylheptadecane;octane
CID 168985515
6-hydroxydecanal
CID 86178467
3-ethylhept-1-ene
CID 12923943
(3R)-3-ethyloct-1-ene
CID 50898077
7-(hydroxymethyl)undecanal
CID 123467970
hexanal;titanium
CID 87066655
decanal;decane
CID 157361056
hexanal;trihydrochloride
CID 175325753
nonanal;oct-1-ene
CID 157284500
heptanal;hept-1-ene
CID 174946758

Frequently Asked Questions

What is the IUPAC name of 6-ethenyldecanal?
The IUPAC name of 6-ethenyldecanal (CID 18790893) is 6-ethenyldecanal.
What is the SMILES notation for 6-ethenyldecanal?
The canonical SMILES for 6-ethenyldecanal is C=CC(CCCC)CCCCC=O.
What is the InChIKey of 6-ethenyldecanal?
The InChIKey is YHRGBKWOOWICTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-9-12(4-2)10-7-6-8-11-13/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of 6-ethenyldecanal?
6-ethenyldecanal has a molecular weight of 182.31 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyldecanal is sourced from PubChem (CID 18790893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).