1-chloro-2,2-dimethylpropane

C5H11Cl — CID 12956

IUPAC1-chloro-2,2-dimethylpropane
SMILESCC(C)(C)CCl
InChIInChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyJEKYMVBQWWZVHO-UHFFFAOYSA-N
MW106.60 g/mol
LogP2.27
Rot. Bonds

About 1-chloro-2,2-dimethylpropane

1-chloro-2,2-dimethylpropane (PubChem CID 12956) has the molecular formula C5H11Cl and a molecular weight of 106.60 g/mol. Its IUPAC name is 1-chloro-2,2-dimethylpropane.

Molecular Properties

Compound Name1-chloro-2,2-dimethylpropane
PubChem CID12956
Molecular FormulaC5H11Cl
Molecular Weight106.60 g/mol
Exact Mass106.05
IUPAC Name1-chloro-2,2-dimethylpropane
SMILESCC(C)(C)CCl
InChIInChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyJEKYMVBQWWZVHO-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.60
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chlorobutane
CID 6563
Isobutyl chloride
CID 10554
1,3-Dichloro-2-(chloromethyl)-2-methylpropane
CID 136826
1-Chloro-3,3-dimethylbutane
CID 76111
Propane, 1,3-dichloro-2,2-dimethyl-
CID 122408
Butane, 2-chloro-3,3-dimethyl
CID 521807
(R)-2-chlorobutane
CID 23616278
2-Chlorobutane, (+)-
CID 637146
1-Chloro-2,2-dimethylbutane
CID 524244
1,1-Dichloro-2,2-dimethylpropane
CID 23264313
1-Chloro-1-fluoro-2,2-dimethylpropane
CID 137503418
1,1,3-Trichloro-2,2-dimethylpropane
CID 87671492

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2-dimethylpropane?
The IUPAC name of 1-chloro-2,2-dimethylpropane (CID 12956) is 1-chloro-2,2-dimethylpropane.
What is the SMILES notation for 1-chloro-2,2-dimethylpropane?
The canonical SMILES for 1-chloro-2,2-dimethylpropane is CC(C)(C)CCl.
What is the InChIKey of 1-chloro-2,2-dimethylpropane?
The InChIKey is JEKYMVBQWWZVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3.
What are the key properties of 1-chloro-2,2-dimethylpropane?
1-chloro-2,2-dimethylpropane has a molecular weight of 106.60 g/mol, XLogP of 2.27, 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 is sourced from PubChem (CID 12956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).