(E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene

C10H19IO2 — CID 88794934

IUPAC(E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
SMILESCCOC(C)O[C@@H](/C=C/I)C(C)C
InChIInChI=1S/C10H19IO2/c1-5-12-9(4)13-10(6-7-11)8(2)3/h6-10H,5H2,1-4H3/b7-6+/t9?,10-/m0/s1
InChIKeyHYZFKIDHRAXRQY-KFZAIYOSSA-N
MW298.16 g/mol
LogP3.36
Rot. Bonds6

About (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene

(E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene (PubChem CID 88794934) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene.

Molecular Properties

Compound Name(E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
PubChem CID88794934
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name(E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
SMILESCCOC(C)O[C@@H](/C=C/I)C(C)C
InChIInChI=1S/C10H19IO2/c1-5-12-9(4)13-10(6-7-11)8(2)3/h6-10H,5H2,1-4H3/b7-6+/t9?,10-/m0/s1
InChIKeyHYZFKIDHRAXRQY-KFZAIYOSSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
The IUPAC name of (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene (CID 88794934) is (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene.
What is the SMILES notation for (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
The canonical SMILES for (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene is CCOC(C)O[C@@H](/C=C/I)C(C)C.
What is the InChIKey of (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
The InChIKey is HYZFKIDHRAXRQY-KFZAIYOSSA-N. The full InChI is InChI=1S/C10H19IO2/c1-5-12-9(4)13-10(6-7-11)8(2)3/h6-10H,5H2,1-4H3/b7-6+/t9?,10-/m0/s1.
What are the key properties of (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene?
(E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene has a molecular weight of 298.16 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene is sourced from PubChem (CID 88794934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).