1-chloro-3-iodo-2-methyl-2-propoxypropane

C7H14ClIO — CID 114772009

IUPAC1-chloro-3-iodo-2-methyl-2-propoxypropane
SMILESCCCOC(C)(CCl)CI
InChIInChI=1S/C7H14ClIO/c1-3-4-10-7(2,5-8)6-9/h3-6H2,1-2H3
InChIKeyXVHRFOXBMMBNGD-UHFFFAOYSA-N
MW276.55 g/mol
LogP2.85
Rot. Bonds5

About 1-chloro-3-iodo-2-methyl-2-propoxypropane

1-chloro-3-iodo-2-methyl-2-propoxypropane (PubChem CID 114772009) 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-propoxypropane.

Molecular Properties

Compound Name1-chloro-3-iodo-2-methyl-2-propoxypropane
PubChem CID114772009
Molecular FormulaC7H14ClIO
Molecular Weight276.55 g/mol
Exact Mass275.98
IUPAC Name1-chloro-3-iodo-2-methyl-2-propoxypropane
SMILESCCCOC(C)(CCl)CI
InChIInChI=1S/C7H14ClIO/c1-3-4-10-7(2,5-8)6-9/h3-6H2,1-2H3
InChIKeyXVHRFOXBMMBNGD-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 52.85
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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Related Compounds

1-chloro-2-ethoxy-3-iodo-2-methylpropane
CID 114771911
1-chloro-2-(2-ethoxyethoxy)-3-iodo-2-methylpropane
CID 114772612
(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethylbenzene
CID 114772524
3-butoxy-4-iodo-3-methylbutan-1-ol
CID 88929319
1-(1-bromo-3-chloro-2-methylpropan-2-yl)oxyoctane
CID 114773575
1-(1,1-dipropoxyethoxy)propane
CID 21433420
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
1-methoxy-2-methyl-2-propoxybutane
CID 122692846
2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
CID 114773001
2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114772668
1,1-dipropoxyethylsilane
CID 173115072
(1-chloro-3-iodo-2-methylpropan-2-yl)oxycyclohexane
CID 165477042

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-iodo-2-methyl-2-propoxypropane?
The IUPAC name of 1-chloro-3-iodo-2-methyl-2-propoxypropane (CID 114772009) is 1-chloro-3-iodo-2-methyl-2-propoxypropane.
What is the SMILES notation for 1-chloro-3-iodo-2-methyl-2-propoxypropane?
The canonical SMILES for 1-chloro-3-iodo-2-methyl-2-propoxypropane is CCCOC(C)(CCl)CI.
What is the InChIKey of 1-chloro-3-iodo-2-methyl-2-propoxypropane?
The InChIKey is XVHRFOXBMMBNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClIO/c1-3-4-10-7(2,5-8)6-9/h3-6H2,1-2H3.
What are the key properties of 1-chloro-3-iodo-2-methyl-2-propoxypropane?
1-chloro-3-iodo-2-methyl-2-propoxypropane has a molecular weight of 276.55 g/mol, XLogP of 2.85, 5 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-propoxypropane is sourced from PubChem (CID 114772009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).