5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene

C10H19IO2 — CID 102514294

IUPAC5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene
SMILESC=C(C)C(CCI)OC(C)(C)OC
InChIInChI=1S/C10H19IO2/c1-8(2)9(6-7-11)13-10(3,4)12-5/h9H,1,6-7H2,2-5H3
InChIKeyWXVRWNQFEATMFZ-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.16
Rot. Bonds6

About 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene

5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene (PubChem CID 102514294) has the molecular formula C10H19IO2 and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene.

Molecular Properties

Compound Name5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene
PubChem CID102514294
Molecular FormulaC10H19IO2
Molecular Weight298.16 g/mol
Exact Mass298.04
IUPAC Name5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene
SMILESC=C(C)C(CCI)OC(C)(C)OC
InChIInChI=1S/C10H19IO2/c1-8(2)9(6-7-11)13-10(3,4)12-5/h9H,1,6-7H2,2-5H3
InChIKeyWXVRWNQFEATMFZ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Diethoxy-2-methylbut-1-ene
CID 12594966
2-Methyl-3,3-dipropoxybut-1-ene
CID 139782861
2-[[(E,3S)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 11002772
(4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane
CID 11426038
2-[[(E)-1-iodo-2-methylpent-1-en-3-yl]oxymethoxy]ethyl-trimethylsilane
CID 102333247

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene?
The IUPAC name of 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene (CID 102514294) is 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene.
What is the SMILES notation for 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene?
The canonical SMILES for 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene is C=C(C)C(CCI)OC(C)(C)OC.
What is the InChIKey of 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene?
The InChIKey is WXVRWNQFEATMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO2/c1-8(2)9(6-7-11)13-10(3,4)12-5/h9H,1,6-7H2,2-5H3.
What are the key properties of 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene?
5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene has a molecular weight of 298.16 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-methoxypropan-2-yloxy)-2-methylpent-1-ene is sourced from PubChem (CID 102514294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).