3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene

C14H27IO2 — CID 54398761

IUPAC3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene
SMILESCCCCC(C)(C)C(C=CI)OC(C)OCC
InChIInChI=1S/C14H27IO2/c1-6-8-10-14(4,5)13(9-11-15)17-12(3)16-7-2/h9,11-13H,6-8,10H2,1-5H3
InChIKeyVLWYVFUNKXBTSP-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.92
Rot. Bonds9

About 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene

3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene (PubChem CID 54398761) has the molecular formula C14H27IO2 and a molecular weight of 354.27 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene
PubChem CID54398761
Molecular FormulaC14H27IO2
Molecular Weight354.27 g/mol
Exact Mass354.11
IUPAC Name3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene
SMILESCCCCC(C)(C)C(C=CI)OC(C)OCC
InChIInChI=1S/C14H27IO2/c1-6-8-10-14(4,5)13(9-11-15)17-12(3)16-7-2/h9,11-13H,6-8,10H2,1-5H3
InChIKeyVLWYVFUNKXBTSP-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-Ethenyl-1-(1-ethoxy-2-iodoethoxy)cyclohexane
CID 11034668
1-Octene, 3-(1-butoxy-2-iodoethoxy)-
CID 11100304
3-(1-Butoxy-2-iodoethoxy)hept-1-ene
CID 135086288
(E)-3-(1-ethoxyethoxy)-1-iodooct-1-ene
CID 14670432
(Z)-3-(1-ethoxyethoxy)-1-iodooct-1-ene
CID 14670433
(Z)-1-iodo-3-(2-methoxypropan-2-yloxy)oct-1-ene
CID 15659526
2-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]spiro[3.3]heptane
CID 20320769
[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
CID 20336688
(E)-3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene
CID 20336712
(E)-1-iodo-3-(2-methoxypropan-2-yloxy)oct-1-ene
CID 21401259
(Z,3R)-1-iodo-3-(2-methoxypropan-2-yloxy)oct-1-ene
CID 22799187
(Z,3S)-1-iodo-3-(2-methoxypropan-2-yloxy)oct-1-ene
CID 22799189

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene?
The IUPAC name of 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene (CID 54398761) is 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene.
What is the SMILES notation for 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene?
The canonical SMILES for 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene is CCCCC(C)(C)C(C=CI)OC(C)OCC.
What is the InChIKey of 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene?
The InChIKey is VLWYVFUNKXBTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IO2/c1-6-8-10-14(4,5)13(9-11-15)17-12(3)16-7-2/h9,11-13H,6-8,10H2,1-5H3.
What are the key properties of 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene?
3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene has a molecular weight of 354.27 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)-1-iodo-4,4-dimethyloct-1-ene is sourced from PubChem (CID 54398761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).