3-chlorodec-4-ene

C10H19Cl — CID 71319851

IUPAC3-chlorodec-4-ene
SMILESCCCCCC=CC(Cl)CC
InChIInChI=1S/C10H19Cl/c1-3-5-6-7-8-9-10(11)4-2/h8-10H,3-7H2,1-2H3
InChIKeyYUOFXIQOQLTAIJ-UHFFFAOYSA-N
MW174.71 g/mol
LogP4.14
Rot. Bonds6

About 3-chlorodec-4-ene

3-chlorodec-4-ene (PubChem CID 71319851) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 3-chlorodec-4-ene.

Molecular Properties

Compound Name3-chlorodec-4-ene
PubChem CID71319851
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name3-chlorodec-4-ene
SMILESCCCCCC=CC(Cl)CC
InChIInChI=1S/C10H19Cl/c1-3-5-6-7-8-9-10(11)4-2/h8-10H,3-7H2,1-2H3
InChIKeyYUOFXIQOQLTAIJ-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 54.14
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 3-chlorodec-4-ene?
The IUPAC name of 3-chlorodec-4-ene (CID 71319851) is 3-chlorodec-4-ene.
What is the SMILES notation for 3-chlorodec-4-ene?
The canonical SMILES for 3-chlorodec-4-ene is CCCCCC=CC(Cl)CC.
What is the InChIKey of 3-chlorodec-4-ene?
The InChIKey is YUOFXIQOQLTAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-3-5-6-7-8-9-10(11)4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-chlorodec-4-ene?
3-chlorodec-4-ene has a molecular weight of 174.71 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorodec-4-ene is sourced from PubChem (CID 71319851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).