trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane

C14H23Cl — CID 135039547

IUPACtrans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane
SMILESC=C[C@H]1CC(C)(C)C[C@@H]1CC/C=C/CCl
InChIInChI=1S/C14H23Cl/c1-4-12-10-14(2,3)11-13(12)8-6-5-7-9-15/h4-5,7,12-13H,1,6,8-11H2,2-3H3/b7-5+/t12-,13-/m0/s1
InChIKeyLGFRSFFVARXCGP-YTDWTQRBSA-N
MW226.79 g/mol
LogP4.80
Rot. Bonds5

About trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane

trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane (PubChem CID 135039547) has the molecular formula C14H23Cl and a molecular weight of 226.79 g/mol. Its IUPAC name is trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane.

Molecular Properties

Compound Nametrans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane
PubChem CID135039547
Molecular FormulaC14H23Cl
Molecular Weight226.79 g/mol
Exact Mass226.15
IUPAC Nametrans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane
SMILESC=C[C@H]1CC(C)(C)C[C@@H]1CC/C=C/CCl
InChIInChI=1S/C14H23Cl/c1-4-12-10-14(2,3)11-13(12)8-6-5-7-9-15/h4-5,7,12-13H,1,6,8-11H2,2-3H3/b7-5+/t12-,13-/m0/s1
InChIKeyLGFRSFFVARXCGP-YTDWTQRBSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.79
LogP ≤ 54.80
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 trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane?
The IUPAC name of trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane (CID 135039547) is trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane.
What is the SMILES notation for trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane?
The canonical SMILES for trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane is C=C[C@H]1CC(C)(C)C[C@@H]1CC/C=C/CCl.
What is the InChIKey of trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane?
The InChIKey is LGFRSFFVARXCGP-YTDWTQRBSA-N. The full InChI is InChI=1S/C14H23Cl/c1-4-12-10-14(2,3)11-13(12)8-6-5-7-9-15/h4-5,7,12-13H,1,6,8-11H2,2-3H3/b7-5+/t12-,13-/m0/s1.
What are the key properties of trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane?
trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane has a molecular weight of 226.79 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,4R)-3-[(E)-5-chloropent-3-enyl]-4-ethenyl-1,1-dimethylcyclopentane is sourced from PubChem (CID 135039547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).