(4Z,8E)-dodeca-4,8-diene-1,2-diol

C12H22O2 — CID 155905851

IUPAC(4Z,8E)-dodeca-4,8-diene-1,2-diol
SMILESCCC/C=C/CC/C=C\CC(O)CO
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3/b5-4+,9-8-
InChIKeyHSPMOWPUOOGIDA-PXJZJIAOSA-N
MW198.31 g/mol
LogP2.42
Rot. Bonds8

About (4Z,8E)-dodeca-4,8-diene-1,2-diol

(4Z,8E)-dodeca-4,8-diene-1,2-diol (PubChem CID 155905851) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4Z,8E)-dodeca-4,8-diene-1,2-diol.

Molecular Properties

Compound Name(4Z,8E)-dodeca-4,8-diene-1,2-diol
PubChem CID155905851
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4Z,8E)-dodeca-4,8-diene-1,2-diol
SMILESCCC/C=C/CC/C=C\CC(O)CO
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3/b5-4+,9-8-
InChIKeyHSPMOWPUOOGIDA-PXJZJIAOSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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4,12-Tetradecadiene-8,10-diyne-1,6,7-triol
CID 372975
Oct-6-en-4-ol
CID 57006309
2,6-Octadiene-4,5-diol
CID 5366238
(5E)-1,5-Heptadiene-3,4-diol
CID 5366240
(3E,6R,7S,9Z,12E)-pentadeca-3,9,12-trien-1-yne-6,7-diol
CID 23424687
(3Z,6R,7S,9Z,12E)-pentadeca-3,9,12-trien-1-yne-6,7-diol
CID 23424689
Harzianumol B
CID 139584918
Harzianumol A
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CID 146684972

Frequently Asked Questions

What is the IUPAC name of (4Z,8E)-dodeca-4,8-diene-1,2-diol?
The IUPAC name of (4Z,8E)-dodeca-4,8-diene-1,2-diol (CID 155905851) is (4Z,8E)-dodeca-4,8-diene-1,2-diol.
What is the SMILES notation for (4Z,8E)-dodeca-4,8-diene-1,2-diol?
The canonical SMILES for (4Z,8E)-dodeca-4,8-diene-1,2-diol is CCC/C=C/CC/C=C\CC(O)CO.
What is the InChIKey of (4Z,8E)-dodeca-4,8-diene-1,2-diol?
The InChIKey is HSPMOWPUOOGIDA-PXJZJIAOSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3/b5-4+,9-8-.
What are the key properties of (4Z,8E)-dodeca-4,8-diene-1,2-diol?
(4Z,8E)-dodeca-4,8-diene-1,2-diol has a molecular weight of 198.31 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E)-dodeca-4,8-diene-1,2-diol is sourced from PubChem (CID 155905851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).