(2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal

C12H16O2 — CID 6440355

IUPAC(2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal
SMILESCCC(O)/C=C\C=C/C=C\C=C/C=O
InChIInChI=1S/C12H16O2/c1-2-12(14)10-8-6-4-3-5-7-9-11-13/h3-12,14H,2H2,1H3/b5-3-,6-4-,9-7-,10-8-
InChIKeyWEYIMDWLELIRAJ-RSIYVSQUSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds6

About (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal

(2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal (PubChem CID 6440355) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal
PubChem CID6440355
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal
SMILESCCC(O)/C=C\C=C/C=C\C=C/C=O
InChIInChI=1S/C12H16O2/c1-2-12(14)10-8-6-4-3-5-7-9-11-13/h3-12,14H,2H2,1H3/b5-3-,6-4-,9-7-,10-8-
InChIKeyWEYIMDWLELIRAJ-RSIYVSQUSA-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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal?
The IUPAC name of (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal (CID 6440355) is (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal.
What is the SMILES notation for (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal?
The canonical SMILES for (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal is CCC(O)/C=C\C=C/C=C\C=C/C=O.
What is the InChIKey of (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal?
The InChIKey is WEYIMDWLELIRAJ-RSIYVSQUSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-12(14)10-8-6-4-3-5-7-9-11-13/h3-12,14H,2H2,1H3/b5-3-,6-4-,9-7-,10-8-.
What are the key properties of (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal?
(2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-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 (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal is sourced from PubChem (CID 6440355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).