(4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol

C12H22O3 — CID 135039824

IUPAC(4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol
SMILESC/C=C/C[C@H](O)/C=C/C[C@H](O)CCCO
InChIInChI=1S/C12H22O3/c1-2-3-6-11(14)7-4-8-12(15)9-5-10-13/h2-4,7,11-15H,5-6,8-10H2,1H3/b3-2+,7-4+/t11-,12-/m0/s1
InChIKeyXYRFSTXTZZLEJP-LUFSUZLSSA-N
MW214.31 g/mol
LogP1.39
Rot. Bonds8

About (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol

(4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol (PubChem CID 135039824) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol.

Molecular Properties

Compound Name(4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol
PubChem CID135039824
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name(4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol
SMILESC/C=C/C[C@H](O)/C=C/C[C@H](O)CCCO
InChIInChI=1S/C12H22O3/c1-2-3-6-11(14)7-4-8-12(15)9-5-10-13/h2-4,7,11-15H,5-6,8-10H2,1H3/b3-2+,7-4+/t11-,12-/m0/s1
InChIKeyXYRFSTXTZZLEJP-LUFSUZLSSA-N
XLogP1.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol?
The IUPAC name of (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol (CID 135039824) is (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol.
What is the SMILES notation for (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol?
The canonical SMILES for (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol is C/C=C/C[C@H](O)/C=C/C[C@H](O)CCCO.
What is the InChIKey of (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol?
The InChIKey is XYRFSTXTZZLEJP-LUFSUZLSSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-6-11(14)7-4-8-12(15)9-5-10-13/h2-4,7,11-15H,5-6,8-10H2,1H3/b3-2+,7-4+/t11-,12-/m0/s1.
What are the key properties of (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol?
(4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol has a molecular weight of 214.31 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6E,8S,10E)-dodeca-6,10-diene-1,4,8-triol is sourced from PubChem (CID 135039824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).