2-chloropropane;oxolane

C7H15ClO — CID 159770837

IUPAC2-chloropropane;oxolane
SMILESC1CCOC1.CC(C)Cl
InChIInChI=1S/C4H8O.C3H7Cl/c1-2-4-5-3-1;1-3(2)4/h1-4H2;3H,1-2H3
InChIKeyNGCAMJJOQQOHQS-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.43
Rot. Bonds

About 2-chloropropane;oxolane

2-chloropropane;oxolane (PubChem CID 159770837) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 2-chloropropane;oxolane.

Molecular Properties

Compound Name2-chloropropane;oxolane
PubChem CID159770837
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name2-chloropropane;oxolane
SMILESC1CCOC1.CC(C)Cl
InChIInChI=1S/C4H8O.C3H7Cl/c1-2-4-5-3-1;1-3(2)4/h1-4H2;3H,1-2H3
InChIKeyNGCAMJJOQQOHQS-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropane;oxolane
CID 70603205
2-methylpropane;oxane
CID 91454058
ethane;2-methylpropane;oxane
CID 91157399
oxolane;propan-2-ol
CID 22597222
chloromethane;oxolane;zinc
CID 159082038
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
manganese;oxolane
CID 70504486
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486

Frequently Asked Questions

What is the IUPAC name of 2-chloropropane;oxolane?
The IUPAC name of 2-chloropropane;oxolane (CID 159770837) is 2-chloropropane;oxolane.
What is the SMILES notation for 2-chloropropane;oxolane?
The canonical SMILES for 2-chloropropane;oxolane is C1CCOC1.CC(C)Cl.
What is the InChIKey of 2-chloropropane;oxolane?
The InChIKey is NGCAMJJOQQOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H7Cl/c1-2-4-5-3-1;1-3(2)4/h1-4H2;3H,1-2H3.
What are the key properties of 2-chloropropane;oxolane?
2-chloropropane;oxolane has a molecular weight of 150.65 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropane;oxolane is sourced from PubChem (CID 159770837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).