1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane

C11H19Cl — CID 165443098

IUPAC1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane
SMILESC=CCC(C)C1(CCl)CCCC1
InChIInChI=1S/C11H19Cl/c1-3-6-10(2)11(9-12)7-4-5-8-11/h3,10H,1,4-9H2,2H3
InChIKeyPTOKBAIFCMGJOZ-UHFFFAOYSA-N
MW186.73 g/mol
LogP4.00
Rot. Bonds4

About 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane

1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane (PubChem CID 165443098) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane.

Molecular Properties

Compound Name1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane
PubChem CID165443098
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane
SMILESC=CCC(C)C1(CCl)CCCC1
InChIInChI=1S/C11H19Cl/c1-3-6-10(2)11(9-12)7-4-5-8-11/h3,10H,1,4-9H2,2H3
InChIKeyPTOKBAIFCMGJOZ-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane?
The IUPAC name of 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane (CID 165443098) is 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane.
What is the SMILES notation for 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane?
The canonical SMILES for 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane is C=CCC(C)C1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane?
The InChIKey is PTOKBAIFCMGJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-3-6-10(2)11(9-12)7-4-5-8-11/h3,10H,1,4-9H2,2H3.
What are the key properties of 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane?
1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane has a molecular weight of 186.73 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-pent-4-en-2-ylcyclopentane is sourced from PubChem (CID 165443098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).