undec-10-enal

C11H20O — CID 8187

IUPACundec-10-enal
SMILESC=CCCCCCCCCC=O
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
InChIKeyOFHHDSQXFXLTKC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds9

About undec-10-enal

undec-10-enal (PubChem CID 8187) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is undec-10-enal.

Molecular Properties

Compound Nameundec-10-enal
PubChem CID8187
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameundec-10-enal
SMILESC=CCCCCCCCCC=O
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
InChIKeyOFHHDSQXFXLTKC-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of undec-10-enal?
The IUPAC name of undec-10-enal (CID 8187) is undec-10-enal.
What is the SMILES notation for undec-10-enal?
The canonical SMILES for undec-10-enal is C=CCCCCCCCCC=O.
What is the InChIKey of undec-10-enal?
The InChIKey is OFHHDSQXFXLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2.
What are the key properties of undec-10-enal?
undec-10-enal has a molecular weight of 168.28 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enal is sourced from PubChem (CID 8187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).