(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal

C10H14O2 — CID 23427920

IUPAC(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal
SMILESCC[C@H](O)/C=C/C=C/C=C/C=O
InChIInChI=1S/C10H14O2/c1-2-10(12)8-6-4-3-5-7-9-11/h3-10,12H,2H2,1H3/b4-3+,7-5+,8-6+/t10-/m0/s1
InChIKeyTVUVOOZJWJBNHB-DIFQMIRQSA-N
MW166.22 g/mol
LogP1.62
Rot. Bonds5

About (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal

(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal (PubChem CID 23427920) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal.

Molecular Properties

Compound Name(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal
PubChem CID23427920
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal
SMILESCC[C@H](O)/C=C/C=C/C=C/C=O
InChIInChI=1S/C10H14O2/c1-2-10(12)8-6-4-3-5-7-9-11/h3-10,12H,2H2,1H3/b4-3+,7-5+,8-6+/t10-/m0/s1
InChIKeyTVUVOOZJWJBNHB-DIFQMIRQSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal?
The IUPAC name of (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal (CID 23427920) is (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal.
What is the SMILES notation for (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal?
The canonical SMILES for (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal is CC[C@H](O)/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal?
The InChIKey is TVUVOOZJWJBNHB-DIFQMIRQSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10(12)8-6-4-3-5-7-9-11/h3-10,12H,2H2,1H3/b4-3+,7-5+,8-6+/t10-/m0/s1.
What are the key properties of (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal?
(2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal has a molecular weight of 166.22 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8S)-8-hydroxydeca-2,4,6-trienal is sourced from PubChem (CID 23427920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).