1-chloro-2-(1-chloropropyl)cyclooctene

C11H18Cl2 — CID 71337601

IUPAC1-chloro-2-(1-chloropropyl)cyclooctene
SMILESCCC(Cl)C1=C(Cl)CCCCCC1
InChIInChI=1S/C11H18Cl2/c1-2-10(12)9-7-5-3-4-6-8-11(9)13/h10H,2-8H2,1H3
InChIKeyQYFGOCUQBUYGDZ-UHFFFAOYSA-N
MW221.17 g/mol
LogP4.85
Rot. Bonds2

About 1-chloro-2-(1-chloropropyl)cyclooctene

1-chloro-2-(1-chloropropyl)cyclooctene (PubChem CID 71337601) has the molecular formula C11H18Cl2 and a molecular weight of 221.17 g/mol. Its IUPAC name is 1-chloro-2-(1-chloropropyl)cyclooctene.

Molecular Properties

Compound Name1-chloro-2-(1-chloropropyl)cyclooctene
PubChem CID71337601
Molecular FormulaC11H18Cl2
Molecular Weight221.17 g/mol
Exact Mass220.08
IUPAC Name1-chloro-2-(1-chloropropyl)cyclooctene
SMILESCCC(Cl)C1=C(Cl)CCCCCC1
InChIInChI=1S/C11H18Cl2/c1-2-10(12)9-7-5-3-4-6-8-11(9)13/h10H,2-8H2,1H3
InChIKeyQYFGOCUQBUYGDZ-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloropropyl)cyclooctene?
The IUPAC name of 1-chloro-2-(1-chloropropyl)cyclooctene (CID 71337601) is 1-chloro-2-(1-chloropropyl)cyclooctene.
What is the SMILES notation for 1-chloro-2-(1-chloropropyl)cyclooctene?
The canonical SMILES for 1-chloro-2-(1-chloropropyl)cyclooctene is CCC(Cl)C1=C(Cl)CCCCCC1.
What is the InChIKey of 1-chloro-2-(1-chloropropyl)cyclooctene?
The InChIKey is QYFGOCUQBUYGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2/c1-2-10(12)9-7-5-3-4-6-8-11(9)13/h10H,2-8H2,1H3.
What are the key properties of 1-chloro-2-(1-chloropropyl)cyclooctene?
1-chloro-2-(1-chloropropyl)cyclooctene has a molecular weight of 221.17 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chloropropyl)cyclooctene is sourced from PubChem (CID 71337601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).