(Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene

C12H23IO4 — CID 121015471

IUPAC(Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene
SMILESCOC(C)(C)OC/C=C(\I)COC(C)(C)OC
InChIInChI=1S/C12H23IO4/c1-11(2,14-5)16-8-7-10(13)9-17-12(3,4)15-6/h7H,8-9H2,1-6H3/b10-7-
InChIKeyPXWJKZMFBJVVKK-YFHOEESVSA-N
MW358.22 g/mol
LogP3.10
Rot. Bonds8

About (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene

(Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene (PubChem CID 121015471) has the molecular formula C12H23IO4 and a molecular weight of 358.22 g/mol. Its IUPAC name is (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene.

Molecular Properties

Compound Name(Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene
PubChem CID121015471
Molecular FormulaC12H23IO4
Molecular Weight358.22 g/mol
Exact Mass358.06
IUPAC Name(Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene
SMILESCOC(C)(C)OC/C=C(\I)COC(C)(C)OC
InChIInChI=1S/C12H23IO4/c1-11(2,14-5)16-8-7-10(13)9-17-12(3,4)15-6/h7H,8-9H2,1-6H3/b10-7-
InChIKeyPXWJKZMFBJVVKK-YFHOEESVSA-N
XLogP3.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxypropan-2-yloxy)-3-methylpent-3-en-1-yne
CID 54291517
(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
CID 10082427
2-(2-iodoethoxy)-2-methoxypropane
CID 19858315
2-(2-methoxypropan-2-yloxy)pent-2-ene
CID 90956610
2,2-dimethoxypropane;methane
CID 162063722
[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]cyclohexane
CID 11253413
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane
CID 160972602
(E)-3-iodo-1-methoxynon-2-ene
CID 10493117
(2S,3R)-3-(2-methoxypropan-2-yloxy)hexan-2-ol
CID 10856286
benzene;2,2-dimethoxypropane
CID 174975680
methyl 2-ethyl-4-[(2-methylpropan-2-yl)oxy]but-2-enoate
CID 77100393

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene?
The IUPAC name of (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene (CID 121015471) is (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene.
What is the SMILES notation for (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene?
The canonical SMILES for (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene is COC(C)(C)OC/C=C(\I)COC(C)(C)OC.
What is the InChIKey of (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene?
The InChIKey is PXWJKZMFBJVVKK-YFHOEESVSA-N. The full InChI is InChI=1S/C12H23IO4/c1-11(2,14-5)16-8-7-10(13)9-17-12(3,4)15-6/h7H,8-9H2,1-6H3/b10-7-.
What are the key properties of (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene?
(Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene has a molecular weight of 358.22 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iodo-1,4-bis(2-methoxypropan-2-yloxy)but-2-ene is sourced from PubChem (CID 121015471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).