(Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene

C13H24I2O2 — CID 10457240

IUPAC(Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene
SMILESCCCCCCCC(/C=C(\I)CI)OCOC
InChIInChI=1S/C13H24I2O2/c1-3-4-5-6-7-8-13(17-11-16-2)9-12(15)10-14/h9,13H,3-8,10-11H2,1-2H3/b12-9-
InChIKeyZSIJOQAXCXHFTF-XFXZXTDPSA-N
MW466.14 g/mol
LogP5.09
Rot. Bonds11

About (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene

(Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene (PubChem CID 10457240) has the molecular formula C13H24I2O2 and a molecular weight of 466.14 g/mol. Its IUPAC name is (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene.

Molecular Properties

Compound Name(Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene
PubChem CID10457240
Molecular FormulaC13H24I2O2
Molecular Weight466.14 g/mol
Exact Mass465.99
IUPAC Name(Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene
SMILESCCCCCCCC(/C=C(\I)CI)OCOC
InChIInChI=1S/C13H24I2O2/c1-3-4-5-6-7-8-13(17-11-16-2)9-12(15)10-14/h9,13H,3-8,10-11H2,1-2H3/b12-9-
InChIKeyZSIJOQAXCXHFTF-XFXZXTDPSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.14
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(E)-8-(methoxymethoxy)tridec-6-ene
CID 13267433
4-methyl-6-octyl-4H-1,3-dioxine
CID 14017438
6-(Ethoxymethoxy)-1-iodocyclohexene
CID 86034399
1-Iodo-2-[1-(methoxymethoxy)prop-2-enyl]cycloheptene
CID 134897637
4-Pentyl-4,7-dihydro-1,3-dioxepine
CID 135085663
1-(1-Methoxymethoxyethyl)cyclohexene
CID 542494
1-(1-Ethoxyethoxy)-2-(2-iodoethylidene)cycloheptane
CID 70636311
1-Iodo-3-(2-methoxypropan-2-yloxy)dec-1-ene
CID 85952346
(Z)-1-iodo-7-[[(Z)-12-iodododec-9-en-6-yl]oxymethoxymethoxy]dodec-3-ene
CID 163288025
(E)-1-iodo-7-[[(E)-1-iodotridec-3-en-7-yl]oxymethoxymethoxy]tridec-3-ene
CID 163288036
(Z)-1-iodo-7-[[(Z)-1-iodotridec-3-en-7-yl]oxymethoxymethoxy]tridec-3-ene
CID 163288049
(Z)-1-iodo-7-[[(Z)-1-iodotetradec-3-en-7-yl]oxymethoxymethoxy]tetradec-3-ene
CID 163288057

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene?
The IUPAC name of (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene (CID 10457240) is (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene.
What is the SMILES notation for (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene?
The canonical SMILES for (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene is CCCCCCCC(/C=C(\I)CI)OCOC.
What is the InChIKey of (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene?
The InChIKey is ZSIJOQAXCXHFTF-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H24I2O2/c1-3-4-5-6-7-8-13(17-11-16-2)9-12(15)10-14/h9,13H,3-8,10-11H2,1-2H3/b12-9-.
What are the key properties of (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene?
(Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene has a molecular weight of 466.14 g/mol, XLogP of 5.09, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2-diiodo-4-(methoxymethoxy)undec-2-ene is sourced from PubChem (CID 10457240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).