1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane

C7H14ClIO — CID 114772127

IUPAC1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(CCl)CI
InChIInChI=1S/C7H14ClIO/c1-6(2)10-7(3,4-8)5-9/h6H,4-5H2,1-3H3
InChIKeyIBUGPDRCKOOPOY-UHFFFAOYSA-N
MW276.55 g/mol
LogP2.84
Rot. Bonds4

About 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane

1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane (PubChem CID 114772127) has the molecular formula C7H14ClIO and a molecular weight of 276.55 g/mol. Its IUPAC name is 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane
PubChem CID114772127
Molecular FormulaC7H14ClIO
Molecular Weight276.55 g/mol
Exact Mass275.98
IUPAC Name1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(CCl)CI
InChIInChI=1S/C7H14ClIO/c1-6(2)10-7(3,4-8)5-9/h6H,4-5H2,1-3H3
InChIKeyIBUGPDRCKOOPOY-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane?
The IUPAC name of 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane (CID 114772127) is 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane.
What is the SMILES notation for 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane?
The canonical SMILES for 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane is CC(C)OC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane?
The InChIKey is IBUGPDRCKOOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClIO/c1-6(2)10-7(3,4-8)5-9/h6H,4-5H2,1-3H3.
What are the key properties of 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane?
1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane has a molecular weight of 276.55 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-iodo-2-methyl-2-propan-2-yloxypropane is sourced from PubChem (CID 114772127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).