chloromethane;2-methylpropane

C5H13Cl — CID 159576312

IUPACchloromethane;2-methylpropane
SMILESCC(C)C.CCl
InChIInChI=1S/C4H10.CH3Cl/c1-4(2)3;1-2/h4H,1-3H3;1H3
InChIKeyMILIKYKHHCRVDN-UHFFFAOYSA-N
MW108.61 g/mol
LogP2.52
Rot. Bonds

About chloromethane;2-methylpropane

chloromethane;2-methylpropane (PubChem CID 159576312) has the molecular formula C5H13Cl and a molecular weight of 108.61 g/mol. Its IUPAC name is chloromethane;2-methylpropane.

Molecular Properties

Compound Namechloromethane;2-methylpropane
PubChem CID159576312
Molecular FormulaC5H13Cl
Molecular Weight108.61 g/mol
Exact Mass108.07
IUPAC Namechloromethane;2-methylpropane
SMILESCC(C)C.CCl
InChIInChI=1S/C4H10.CH3Cl/c1-4(2)3;1-2/h4H,1-3H3;1H3
InChIKeyMILIKYKHHCRVDN-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;2-methylpropane?
The IUPAC name of chloromethane;2-methylpropane (CID 159576312) is chloromethane;2-methylpropane.
What is the SMILES notation for chloromethane;2-methylpropane?
The canonical SMILES for chloromethane;2-methylpropane is CC(C)C.CCl.
What is the InChIKey of chloromethane;2-methylpropane?
The InChIKey is MILIKYKHHCRVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CH3Cl/c1-4(2)3;1-2/h4H,1-3H3;1H3.
What are the key properties of chloromethane;2-methylpropane?
chloromethane;2-methylpropane has a molecular weight of 108.61 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2-methylpropane is sourced from PubChem (CID 159576312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).