5-chloropentylidenecyclopropane

C8H13Cl — CID 57098947

IUPAC5-chloropentylidenecyclopropane
SMILESClCCCCC=C1CC1
InChIInChI=1S/C8H13Cl/c9-7-3-1-2-4-8-5-6-8/h4H,1-3,5-7H2
InChIKeyZHDRQCOEWCNTSU-UHFFFAOYSA-N
MW144.64 g/mol
LogP3.12
Rot. Bonds4

About 5-chloropentylidenecyclopropane

5-chloropentylidenecyclopropane (PubChem CID 57098947) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 5-chloropentylidenecyclopropane.

Molecular Properties

Compound Name5-chloropentylidenecyclopropane
PubChem CID57098947
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name5-chloropentylidenecyclopropane
SMILESClCCCCC=C1CC1
InChIInChI=1S/C8H13Cl/c9-7-3-1-2-4-8-5-6-8/h4H,1-3,5-7H2
InChIKeyZHDRQCOEWCNTSU-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.12
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloropentylidenecyclopropane?
The IUPAC name of 5-chloropentylidenecyclopropane (CID 57098947) is 5-chloropentylidenecyclopropane.
What is the SMILES notation for 5-chloropentylidenecyclopropane?
The canonical SMILES for 5-chloropentylidenecyclopropane is ClCCCCC=C1CC1.
What is the InChIKey of 5-chloropentylidenecyclopropane?
The InChIKey is ZHDRQCOEWCNTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c9-7-3-1-2-4-8-5-6-8/h4H,1-3,5-7H2.
What are the key properties of 5-chloropentylidenecyclopropane?
5-chloropentylidenecyclopropane has a molecular weight of 144.64 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentylidenecyclopropane is sourced from PubChem (CID 57098947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).