carbon monoxide;5-chloropentylidenecyclopropane

C9H13ClO — CID 88603406

IUPACcarbon monoxide;5-chloropentylidenecyclopropane
SMILESClCCCCC=C1CC1.[C-]#[O+]
InChIInChI=1S/C8H13Cl.CO/c9-7-3-1-2-4-8-5-6-8;1-2/h4H,1-3,5-7H2;
InChIKeyCPMHEXYJIKCFRD-UHFFFAOYSA-N
MW172.65 g/mol
LogP3.08
Rot. Bonds4

About carbon monoxide;5-chloropentylidenecyclopropane

carbon monoxide;5-chloropentylidenecyclopropane (PubChem CID 88603406) has the molecular formula C9H13ClO and a molecular weight of 172.65 g/mol. Its IUPAC name is carbon monoxide;5-chloropentylidenecyclopropane.

Molecular Properties

Compound Namecarbon monoxide;5-chloropentylidenecyclopropane
PubChem CID88603406
Molecular FormulaC9H13ClO
Molecular Weight172.65 g/mol
Exact Mass172.07
IUPAC Namecarbon monoxide;5-chloropentylidenecyclopropane
SMILESClCCCCC=C1CC1.[C-]#[O+]
InChIInChI=1S/C8H13Cl.CO/c9-7-3-1-2-4-8-5-6-8;1-2/h4H,1-3,5-7H2;
InChIKeyCPMHEXYJIKCFRD-UHFFFAOYSA-N
XLogP3.08
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.65
LogP ≤ 53.08
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;5-chloropentylidenecyclopropane?
The IUPAC name of carbon monoxide;5-chloropentylidenecyclopropane (CID 88603406) is carbon monoxide;5-chloropentylidenecyclopropane.
What is the SMILES notation for carbon monoxide;5-chloropentylidenecyclopropane?
The canonical SMILES for carbon monoxide;5-chloropentylidenecyclopropane is ClCCCCC=C1CC1.[C-]#[O+].
What is the InChIKey of carbon monoxide;5-chloropentylidenecyclopropane?
The InChIKey is CPMHEXYJIKCFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl.CO/c9-7-3-1-2-4-8-5-6-8;1-2/h4H,1-3,5-7H2;.
What are the key properties of carbon monoxide;5-chloropentylidenecyclopropane?
carbon monoxide;5-chloropentylidenecyclopropane has a molecular weight of 172.65 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;5-chloropentylidenecyclopropane is sourced from PubChem (CID 88603406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).