1-(iodomethoxy)propan-2-yl acetate

C6H11IO3 — CID 138608644

IUPAC1-(iodomethoxy)propan-2-yl acetate
SMILESCC(=O)OC(C)COCI
InChIInChI=1S/C6H11IO3/c1-5(3-9-4-7)10-6(2)8/h5H,3-4H2,1-2H3
InChIKeyJSRSVGGFUWDCKP-UHFFFAOYSA-N
MW258.05 g/mol
LogP1.35
Rot. Bonds4

About 1-(iodomethoxy)propan-2-yl acetate

1-(iodomethoxy)propan-2-yl acetate (PubChem CID 138608644) has the molecular formula C6H11IO3 and a molecular weight of 258.05 g/mol. Its IUPAC name is 1-(iodomethoxy)propan-2-yl acetate.

Molecular Properties

Compound Name1-(iodomethoxy)propan-2-yl acetate
PubChem CID138608644
Molecular FormulaC6H11IO3
Molecular Weight258.05 g/mol
Exact Mass257.98
IUPAC Name1-(iodomethoxy)propan-2-yl acetate
SMILESCC(=O)OC(C)COCI
InChIInChI=1S/C6H11IO3/c1-5(3-9-4-7)10-6(2)8/h5H,3-4H2,1-2H3
InChIKeyJSRSVGGFUWDCKP-UHFFFAOYSA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropoxy)propan-2-yl acetate
CID 73357448
1-ethoxypropan-2-yl acetate;1-methoxy-2-(2-methoxyethoxy)ethane
CID 158068416
1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 87296802
2-acetyloxypropyl acetate;propan-2-one
CID 159489239
1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
CID 21023155
1-pentoxypropan-2-yl acetate
CID 87356806
1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate
CID 22363633
1-[1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 525169
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561
[(2R)-1-[(2-methylpropan-2-yl)oxy]propan-2-yl] acetate
CID 87499609
acetic acid;ethoxyethane;1-methoxypropan-2-yl acetate
CID 158088534
[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethoxy)propan-2-yl acetate?
The IUPAC name of 1-(iodomethoxy)propan-2-yl acetate (CID 138608644) is 1-(iodomethoxy)propan-2-yl acetate.
What is the SMILES notation for 1-(iodomethoxy)propan-2-yl acetate?
The canonical SMILES for 1-(iodomethoxy)propan-2-yl acetate is CC(=O)OC(C)COCI.
What is the InChIKey of 1-(iodomethoxy)propan-2-yl acetate?
The InChIKey is JSRSVGGFUWDCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO3/c1-5(3-9-4-7)10-6(2)8/h5H,3-4H2,1-2H3.
What are the key properties of 1-(iodomethoxy)propan-2-yl acetate?
1-(iodomethoxy)propan-2-yl acetate has a molecular weight of 258.05 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethoxy)propan-2-yl acetate is sourced from PubChem (CID 138608644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).