(Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene

C10H19IO3 — CID 10990642

IUPAC(Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene
SMILESCCCC(/C=C\I)OOC(C)(C)OC
InChIInChI=1S/C10H19IO3/c1-5-6-9(7-8-11)13-14-10(2,3)12-4/h7-9H,5-6H2,1-4H3/b8-7-
InChIKeyGHWONBLHPSOJIL-FPLPWBNLSA-N
MW314.16 g/mol
LogP3.43
Rot. Bonds7

About (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene

(Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene (PubChem CID 10990642) has the molecular formula C10H19IO3 and a molecular weight of 314.16 g/mol. Its IUPAC name is (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene.

Molecular Properties

Compound Name(Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene
PubChem CID10990642
Molecular FormulaC10H19IO3
Molecular Weight314.16 g/mol
Exact Mass314.04
IUPAC Name(Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene
SMILESCCCC(/C=C\I)OOC(C)(C)OC
InChIInChI=1S/C10H19IO3/c1-5-6-9(7-8-11)13-14-10(2,3)12-4/h7-9H,5-6H2,1-4H3/b8-7-
InChIKeyGHWONBLHPSOJIL-FPLPWBNLSA-N
XLogP3.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene?
The IUPAC name of (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene (CID 10990642) is (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene.
What is the SMILES notation for (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene?
The canonical SMILES for (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene is CCCC(/C=C\I)OOC(C)(C)OC.
What is the InChIKey of (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene?
The InChIKey is GHWONBLHPSOJIL-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H19IO3/c1-5-6-9(7-8-11)13-14-10(2,3)12-4/h7-9H,5-6H2,1-4H3/b8-7-.
What are the key properties of (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene?
(Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene has a molecular weight of 314.16 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iodo-3-(2-methoxypropan-2-ylperoxy)hex-1-ene is sourced from PubChem (CID 10990642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).