chloroethane;pentane

C7H17Cl — CID 161358526

IUPACchloroethane;pentane
SMILESCCCCC.CCCl
InChIInChI=1S/C5H12.C2H5Cl/c1-3-5-4-2;1-2-3/h3-5H2,1-2H3;2H2,1H3
InChIKeyVOWAXJFSLWDIBC-UHFFFAOYSA-N
MW136.67 g/mol
LogP3.44
Rot. Bonds2

About chloroethane;pentane

chloroethane;pentane (PubChem CID 161358526) has the molecular formula C7H17Cl and a molecular weight of 136.67 g/mol. Its IUPAC name is chloroethane;pentane.

Molecular Properties

Compound Namechloroethane;pentane
PubChem CID161358526
Molecular FormulaC7H17Cl
Molecular Weight136.67 g/mol
Exact Mass136.10
IUPAC Namechloroethane;pentane
SMILESCCCCC.CCCl
InChIInChI=1S/C5H12.C2H5Cl/c1-3-5-4-2;1-2-3/h3-5H2,1-2H3;2H2,1H3
InChIKeyVOWAXJFSLWDIBC-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.67
LogP ≤ 53.44
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

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Frequently Asked Questions

What is the IUPAC name of chloroethane;pentane?
The IUPAC name of chloroethane;pentane (CID 161358526) is chloroethane;pentane.
What is the SMILES notation for chloroethane;pentane?
The canonical SMILES for chloroethane;pentane is CCCCC.CCCl.
What is the InChIKey of chloroethane;pentane?
The InChIKey is VOWAXJFSLWDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C2H5Cl/c1-3-5-4-2;1-2-3/h3-5H2,1-2H3;2H2,1H3.
What are the key properties of chloroethane;pentane?
chloroethane;pentane has a molecular weight of 136.67 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;pentane is sourced from PubChem (CID 161358526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).