2-chlorobutane;methanol

C5H13ClO — CID 88619819

IUPAC2-chlorobutane;methanol
SMILESCCC(C)Cl.CO
InChIInChI=1S/C4H9Cl.CH4O/c1-3-4(2)5;1-2/h4H,3H2,1-2H3;2H,1H3
InChIKeyOJMKSJCUWAINSB-UHFFFAOYSA-N
MW124.61 g/mol
LogP1.63
Rot. Bonds1

About 2-chlorobutane;methanol

2-chlorobutane;methanol (PubChem CID 88619819) has the molecular formula C5H13ClO and a molecular weight of 124.61 g/mol. Its IUPAC name is 2-chlorobutane;methanol.

Molecular Properties

Compound Name2-chlorobutane;methanol
PubChem CID88619819
Molecular FormulaC5H13ClO
Molecular Weight124.61 g/mol
Exact Mass124.07
IUPAC Name2-chlorobutane;methanol
SMILESCCC(C)Cl.CO
InChIInChI=1S/C4H9Cl.CH4O/c1-3-4(2)5;1-2/h4H,3H2,1-2H3;2H,1H3
InChIKeyOJMKSJCUWAINSB-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.61
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chlorobutane;methanol?
The IUPAC name of 2-chlorobutane;methanol (CID 88619819) is 2-chlorobutane;methanol.
What is the SMILES notation for 2-chlorobutane;methanol?
The canonical SMILES for 2-chlorobutane;methanol is CCC(C)Cl.CO.
What is the InChIKey of 2-chlorobutane;methanol?
The InChIKey is OJMKSJCUWAINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl.CH4O/c1-3-4(2)5;1-2/h4H,3H2,1-2H3;2H,1H3.
What are the key properties of 2-chlorobutane;methanol?
2-chlorobutane;methanol has a molecular weight of 124.61 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobutane;methanol is sourced from PubChem (CID 88619819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).