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

C10H21IO2 — CID 165487372

IUPAC1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane
SMILESCOC(COC(C)(C)CI)C(C)C
InChIInChI=1S/C10H21IO2/c1-8(2)9(12-5)6-13-10(3,4)7-11/h8-9H,6-7H2,1-5H3
InChIKeyKPORBWSTAUAIJD-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.89
Rot. Bonds6

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

1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane (PubChem CID 165487372) has the molecular formula C10H21IO2 and a molecular weight of 300.18 g/mol. Its IUPAC name is 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane.

Molecular Properties

Compound Name1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane
PubChem CID165487372
Molecular FormulaC10H21IO2
Molecular Weight300.18 g/mol
Exact Mass300.06
IUPAC Name1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane
SMILESCOC(COC(C)(C)CI)C(C)C
InChIInChI=1S/C10H21IO2/c1-8(2)9(12-5)6-13-10(3,4)7-11/h8-9H,6-7H2,1-5H3
InChIKeyKPORBWSTAUAIJD-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.89
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-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane?
The IUPAC name of 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane (CID 165487372) is 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane.
What is the SMILES notation for 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane?
The canonical SMILES for 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane is COC(COC(C)(C)CI)C(C)C.
What is the InChIKey of 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane?
The InChIKey is KPORBWSTAUAIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IO2/c1-8(2)9(12-5)6-13-10(3,4)7-11/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane?
1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane has a molecular weight of 300.18 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodo-2-methylpropan-2-yl)oxy-2-methoxy-3-methylbutane is sourced from PubChem (CID 165487372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).