4-chlorobutylcyclopropane

C7H13Cl — CID 23263314

IUPAC4-chlorobutylcyclopropane
SMILESClCCCCC1CC1
InChIInChI=1S/C7H13Cl/c8-6-2-1-3-7-4-5-7/h7H,1-6H2
InChIKeyHGBGHHOVOHJUGC-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.81
Rot. Bonds4

About 4-chlorobutylcyclopropane

4-chlorobutylcyclopropane (PubChem CID 23263314) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 4-chlorobutylcyclopropane.

Molecular Properties

Compound Name4-chlorobutylcyclopropane
PubChem CID23263314
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name4-chlorobutylcyclopropane
SMILESClCCCCC1CC1
InChIInChI=1S/C7H13Cl/c8-6-2-1-3-7-4-5-7/h7H,1-6H2
InChIKeyHGBGHHOVOHJUGC-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chlorobutylcyclopropane?
The IUPAC name of 4-chlorobutylcyclopropane (CID 23263314) is 4-chlorobutylcyclopropane.
What is the SMILES notation for 4-chlorobutylcyclopropane?
The canonical SMILES for 4-chlorobutylcyclopropane is ClCCCCC1CC1.
What is the InChIKey of 4-chlorobutylcyclopropane?
The InChIKey is HGBGHHOVOHJUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c8-6-2-1-3-7-4-5-7/h7H,1-6H2.
What are the key properties of 4-chlorobutylcyclopropane?
4-chlorobutylcyclopropane has a molecular weight of 132.63 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutylcyclopropane is sourced from PubChem (CID 23263314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).