(E)-4-oxodec-2-enal

C10H16O2 — CID 6442990

IUPAC(E)-4-oxodec-2-enal
SMILESCCCCCCC(=O)/C=C/C=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-9H,2-5,7H2,1H3/b8-6+
InChIKeyTYFWJIXSKYGHKW-SOFGYWHQSA-N
MW168.24 g/mol
LogP2.28
Rot. Bonds7

About (E)-4-oxodec-2-enal

(E)-4-oxodec-2-enal (PubChem CID 6442990) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-4-oxodec-2-enal.

Molecular Properties

Compound Name(E)-4-oxodec-2-enal
PubChem CID6442990
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-4-oxodec-2-enal
SMILESCCCCCCC(=O)/C=C/C=O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-9H,2-5,7H2,1H3/b8-6+
InChIKeyTYFWJIXSKYGHKW-SOFGYWHQSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-oxodec-2-enal?
The IUPAC name of (E)-4-oxodec-2-enal (CID 6442990) is (E)-4-oxodec-2-enal.
What is the SMILES notation for (E)-4-oxodec-2-enal?
The canonical SMILES for (E)-4-oxodec-2-enal is CCCCCCC(=O)/C=C/C=O.
What is the InChIKey of (E)-4-oxodec-2-enal?
The InChIKey is TYFWJIXSKYGHKW-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-9H,2-5,7H2,1H3/b8-6+.
What are the key properties of (E)-4-oxodec-2-enal?
(E)-4-oxodec-2-enal has a molecular weight of 168.24 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxodec-2-enal is sourced from PubChem (CID 6442990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).