(E)-5-hydroxydec-2-enal

C10H18O2 — CID 14934688

IUPAC(E)-5-hydroxydec-2-enal
SMILESCCCCCC(O)C/C=C/C=O
InChIInChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9-11/h5-6,9-10,12H,2-4,7-8H2,1H3/b6-5+
InChIKeyWJXTZXSREFBIPF-AATRIKPKSA-N
MW170.25 g/mol
LogP2.07
Rot. Bonds7

About (E)-5-hydroxydec-2-enal

(E)-5-hydroxydec-2-enal (PubChem CID 14934688) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (E)-5-hydroxydec-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxydec-2-enal
PubChem CID14934688
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(E)-5-hydroxydec-2-enal
SMILESCCCCCC(O)C/C=C/C=O
InChIInChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9-11/h5-6,9-10,12H,2-4,7-8H2,1H3/b6-5+
InChIKeyWJXTZXSREFBIPF-AATRIKPKSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.07
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)-5-hydroxydec-2-enal?
The IUPAC name of (E)-5-hydroxydec-2-enal (CID 14934688) is (E)-5-hydroxydec-2-enal.
What is the SMILES notation for (E)-5-hydroxydec-2-enal?
The canonical SMILES for (E)-5-hydroxydec-2-enal is CCCCCC(O)C/C=C/C=O.
What is the InChIKey of (E)-5-hydroxydec-2-enal?
The InChIKey is WJXTZXSREFBIPF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-7-10(12)8-5-6-9-11/h5-6,9-10,12H,2-4,7-8H2,1H3/b6-5+.
What are the key properties of (E)-5-hydroxydec-2-enal?
(E)-5-hydroxydec-2-enal has a molecular weight of 170.25 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxydec-2-enal is sourced from PubChem (CID 14934688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).