2-chloro-3-methylbutane

C5H11Cl — CID 522085

IUPAC2-chloro-3-methylbutane
SMILESCC(C)C(C)Cl
InChIInChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKeyJMTRCXPSDMMAGM-UHFFFAOYSA-N
MW106.60 g/mol
LogP2.27
Rot. Bonds1

About 2-chloro-3-methylbutane

2-chloro-3-methylbutane (PubChem CID 522085) has the molecular formula C5H11Cl and a molecular weight of 106.60 g/mol. Its IUPAC name is 2-chloro-3-methylbutane.

Molecular Properties

Compound Name2-chloro-3-methylbutane
PubChem CID522085
Molecular FormulaC5H11Cl
Molecular Weight106.60 g/mol
Exact Mass106.05
IUPAC Name2-chloro-3-methylbutane
SMILESCC(C)C(C)Cl
InChIInChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3
InChIKeyJMTRCXPSDMMAGM-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylbutane?
The IUPAC name of 2-chloro-3-methylbutane (CID 522085) is 2-chloro-3-methylbutane.
What is the SMILES notation for 2-chloro-3-methylbutane?
The canonical SMILES for 2-chloro-3-methylbutane is CC(C)C(C)Cl.
What is the InChIKey of 2-chloro-3-methylbutane?
The InChIKey is JMTRCXPSDMMAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3.
What are the key properties of 2-chloro-3-methylbutane?
2-chloro-3-methylbutane has a molecular weight of 106.60 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylbutane is sourced from PubChem (CID 522085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).