1-chloro-2,2-dimethylpropane;iodomethane

C6H14ClI — CID 87343614

IUPAC1-chloro-2,2-dimethylpropane;iodomethane
SMILESCC(C)(C)CCl.CI
InChIInChI=1S/C5H11Cl.CH3I/c1-5(2,3)4-6;1-2/h4H2,1-3H3;1H3
InChIKeyYKVIGSULIFWCGR-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.32
Rot. Bonds

About 1-chloro-2,2-dimethylpropane;iodomethane

1-chloro-2,2-dimethylpropane;iodomethane (PubChem CID 87343614) has the molecular formula C6H14ClI and a molecular weight of 248.53 g/mol. Its IUPAC name is 1-chloro-2,2-dimethylpropane;iodomethane.

Molecular Properties

Compound Name1-chloro-2,2-dimethylpropane;iodomethane
PubChem CID87343614
Molecular FormulaC6H14ClI
Molecular Weight248.53 g/mol
Exact Mass247.98
IUPAC Name1-chloro-2,2-dimethylpropane;iodomethane
SMILESCC(C)(C)CCl.CI
InChIInChI=1S/C5H11Cl.CH3I/c1-5(2,3)4-6;1-2/h4H2,1-3H3;1H3
InChIKeyYKVIGSULIFWCGR-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-2,2-dimethylpropane;iodomethane?
The IUPAC name of 1-chloro-2,2-dimethylpropane;iodomethane (CID 87343614) is 1-chloro-2,2-dimethylpropane;iodomethane.
What is the SMILES notation for 1-chloro-2,2-dimethylpropane;iodomethane?
The canonical SMILES for 1-chloro-2,2-dimethylpropane;iodomethane is CC(C)(C)CCl.CI.
What is the InChIKey of 1-chloro-2,2-dimethylpropane;iodomethane?
The InChIKey is YKVIGSULIFWCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.CH3I/c1-5(2,3)4-6;1-2/h4H2,1-3H3;1H3.
What are the key properties of 1-chloro-2,2-dimethylpropane;iodomethane?
1-chloro-2,2-dimethylpropane;iodomethane has a molecular weight of 248.53 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2-dimethylpropane;iodomethane is sourced from PubChem (CID 87343614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).