(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal

C12H16O2 — CID 129320371

IUPAC(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal
SMILESC/C=C/C=C/C=C/[C@@H](O)C/C=C/C=O
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,11-12,14H,10H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKeyDGTDQLBODFQKFP-QHHLHPODSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds6

About (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal

(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal (PubChem CID 129320371) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal.

Molecular Properties

Compound Name(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal
PubChem CID129320371
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal
SMILESC/C=C/C=C/C=C/[C@@H](O)C/C=C/C=O
InChIInChI=1S/C12H16O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,11-12,14H,10H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKeyDGTDQLBODFQKFP-QHHLHPODSA-N
XLogP2.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
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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Related Compounds

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CID 6440355
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Frequently Asked Questions

What is the IUPAC name of (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal?
The IUPAC name of (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal (CID 129320371) is (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal.
What is the SMILES notation for (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal?
The canonical SMILES for (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal is C/C=C/C=C/C=C/[C@@H](O)C/C=C/C=O.
What is the InChIKey of (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal?
The InChIKey is DGTDQLBODFQKFP-QHHLHPODSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,11-12,14H,10H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1.
What are the key properties of (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal?
(2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal has a molecular weight of 192.26 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,6E,8E,10E)-5-hydroxydodeca-2,6,8,10-tetraenal is sourced from PubChem (CID 129320371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).