(E)-1-iodo-6,6-dimethoxyhex-1-ene

C8H15IO2 — CID 135030004

IUPAC(E)-1-iodo-6,6-dimethoxyhex-1-ene
SMILESCOC(CCC/C=C/I)OC
InChIInChI=1S/C8H15IO2/c1-10-8(11-2)6-4-3-5-7-9/h5,7-8H,3-4,6H2,1-2H3/b7-5+
InChIKeyVBEMEQITBCJDSL-FNORWQNLSA-N
MW270.11 g/mol
LogP2.72
Rot. Bonds6

About (E)-1-iodo-6,6-dimethoxyhex-1-ene

(E)-1-iodo-6,6-dimethoxyhex-1-ene (PubChem CID 135030004) has the molecular formula C8H15IO2 and a molecular weight of 270.11 g/mol. Its IUPAC name is (E)-1-iodo-6,6-dimethoxyhex-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-6,6-dimethoxyhex-1-ene
PubChem CID135030004
Molecular FormulaC8H15IO2
Molecular Weight270.11 g/mol
Exact Mass270.01
IUPAC Name(E)-1-iodo-6,6-dimethoxyhex-1-ene
SMILESCOC(CCC/C=C/I)OC
InChIInChI=1S/C8H15IO2/c1-10-8(11-2)6-4-3-5-7-9/h5,7-8H,3-4,6H2,1-2H3/b7-5+
InChIKeyVBEMEQITBCJDSL-FNORWQNLSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

(3Z)-8,8-dimethoxyocta-1,3-diene
CID 163205415
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549
(E)-1,1,8,8-tetramethoxyoct-4-ene
CID 15239126
1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
(Z)-1-bromo-18,18-dimethoxyoctadec-3-ene
CID 163205986
(E)-1-bromo-16,16-dimethoxyhexadec-3-ene
CID 163205542
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
15,15-dimethoxypentadeca-3,5-diene
CID 168861653

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-6,6-dimethoxyhex-1-ene?
The IUPAC name of (E)-1-iodo-6,6-dimethoxyhex-1-ene (CID 135030004) is (E)-1-iodo-6,6-dimethoxyhex-1-ene.
What is the SMILES notation for (E)-1-iodo-6,6-dimethoxyhex-1-ene?
The canonical SMILES for (E)-1-iodo-6,6-dimethoxyhex-1-ene is COC(CCC/C=C/I)OC.
What is the InChIKey of (E)-1-iodo-6,6-dimethoxyhex-1-ene?
The InChIKey is VBEMEQITBCJDSL-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15IO2/c1-10-8(11-2)6-4-3-5-7-9/h5,7-8H,3-4,6H2,1-2H3/b7-5+.
What are the key properties of (E)-1-iodo-6,6-dimethoxyhex-1-ene?
(E)-1-iodo-6,6-dimethoxyhex-1-ene has a molecular weight of 270.11 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-6,6-dimethoxyhex-1-ene is sourced from PubChem (CID 135030004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).