1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane

C10H20ClIO2 — CID 106666881

IUPAC1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane
SMILESCOC(C)(C)CCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO2/c1-9(2,13-4)5-6-14-10(3,7-11)8-12/h5-8H2,1-4H3
InChIKeyZMDJWWPOPZGVJW-UHFFFAOYSA-N
MW334.63 g/mol
LogP3.25
Rot. Bonds7

About 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane

1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane (PubChem CID 106666881) has the molecular formula C10H20ClIO2 and a molecular weight of 334.63 g/mol. Its IUPAC name is 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane
PubChem CID106666881
Molecular FormulaC10H20ClIO2
Molecular Weight334.63 g/mol
Exact Mass334.02
IUPAC Name1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane
SMILESCOC(C)(C)CCOC(C)(CCl)CI
InChIInChI=1S/C10H20ClIO2/c1-9(2,13-4)5-6-14-10(3,7-11)8-12/h5-8H2,1-4H3
InChIKeyZMDJWWPOPZGVJW-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane?
The IUPAC name of 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane (CID 106666881) is 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane.
What is the SMILES notation for 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane?
The canonical SMILES for 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane is COC(C)(C)CCOC(C)(CCl)CI.
What is the InChIKey of 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane?
The InChIKey is ZMDJWWPOPZGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClIO2/c1-9(2,13-4)5-6-14-10(3,7-11)8-12/h5-8H2,1-4H3.
What are the key properties of 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane?
1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane has a molecular weight of 334.63 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3-iodo-2-methylpropan-2-yl)oxy-3-methoxy-3-methylbutane is sourced from PubChem (CID 106666881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).