(4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol

C12H20I2O2 — CID 12031837

IUPAC(4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol
SMILESCCC/C(I)=C/[C@@H](O)[C@H](O)/C=C(\I)CCC
InChIInChI=1S/C12H20I2O2/c1-3-5-9(13)7-11(15)12(16)8-10(14)6-4-2/h7-8,11-12,15-16H,3-6H2,1-2H3/b9-7-,10-8-/t11-,12-/m1/s1
InChIKeyJHIMBUGADVQSPL-WICDBLAJSA-N
MW450.10 g/mol
LogP3.95
Rot. Bonds7

About (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol

(4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol (PubChem CID 12031837) has the molecular formula C12H20I2O2 and a molecular weight of 450.10 g/mol. Its IUPAC name is (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol.

Molecular Properties

Compound Name(4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol
PubChem CID12031837
Molecular FormulaC12H20I2O2
Molecular Weight450.10 g/mol
Exact Mass449.96
IUPAC Name(4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol
SMILESCCC/C(I)=C/[C@@H](O)[C@H](O)/C=C(\I)CCC
InChIInChI=1S/C12H20I2O2/c1-3-5-9(13)7-11(15)12(16)8-10(14)6-4-2/h7-8,11-12,15-16H,3-6H2,1-2H3/b9-7-,10-8-/t11-,12-/m1/s1
InChIKeyJHIMBUGADVQSPL-WICDBLAJSA-N
XLogP3.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.10
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol?
The IUPAC name of (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol (CID 12031837) is (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol.
What is the SMILES notation for (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol?
The canonical SMILES for (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol is CCC/C(I)=C/[C@@H](O)[C@H](O)/C=C(\I)CCC.
What is the InChIKey of (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol?
The InChIKey is JHIMBUGADVQSPL-WICDBLAJSA-N. The full InChI is InChI=1S/C12H20I2O2/c1-3-5-9(13)7-11(15)12(16)8-10(14)6-4-2/h7-8,11-12,15-16H,3-6H2,1-2H3/b9-7-,10-8-/t11-,12-/m1/s1.
What are the key properties of (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol?
(4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol has a molecular weight of 450.10 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6R,7R,8Z)-4,9-diiodododeca-4,8-diene-6,7-diol is sourced from PubChem (CID 12031837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).