(E)-4-hydroxyundec-2-enal

C11H20O2 — CID 6440485

IUPAC(E)-4-hydroxyundec-2-enal
SMILESCCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h7,9-11,13H,2-6,8H2,1H3/b9-7+
InChIKeyNJTMUAIJWHYHAO-VQHVLOKHSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds8

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

(E)-4-hydroxyundec-2-enal (PubChem CID 6440485) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-4-hydroxyundec-2-enal.

Molecular Properties

Compound Name(E)-4-hydroxyundec-2-enal
PubChem CID6440485
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-4-hydroxyundec-2-enal
SMILESCCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h7,9-11,13H,2-6,8H2,1H3/b9-7+
InChIKeyNJTMUAIJWHYHAO-VQHVLOKHSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
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-hydroxyundec-2-enal?
The IUPAC name of (E)-4-hydroxyundec-2-enal (CID 6440485) is (E)-4-hydroxyundec-2-enal.
What is the SMILES notation for (E)-4-hydroxyundec-2-enal?
The canonical SMILES for (E)-4-hydroxyundec-2-enal is CCCCCCCC(O)/C=C/C=O.
What is the InChIKey of (E)-4-hydroxyundec-2-enal?
The InChIKey is NJTMUAIJWHYHAO-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-5-6-8-11(13)9-7-10-12/h7,9-11,13H,2-6,8H2,1H3/b9-7+.
What are the key properties of (E)-4-hydroxyundec-2-enal?
(E)-4-hydroxyundec-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxyundec-2-enal is sourced from PubChem (CID 6440485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).