1,2-dibutyl-3,3-dichlorocyclopropene

C11H18Cl2 — CID 134894468

IUPAC1,2-dibutyl-3,3-dichlorocyclopropene
SMILESCCCCC1=C(CCCC)C1(Cl)Cl
InChIInChI=1S/C11H18Cl2/c1-3-5-7-9-10(8-6-4-2)11(9,12)13/h3-8H2,1-2H3
InChIKeyCIIPYVFMJSENDN-UHFFFAOYSA-N
MW221.17 g/mol
LogP4.85
Rot. Bonds6

About 1,2-dibutyl-3,3-dichlorocyclopropene

1,2-dibutyl-3,3-dichlorocyclopropene (PubChem CID 134894468) has the molecular formula C11H18Cl2 and a molecular weight of 221.17 g/mol. Its IUPAC name is 1,2-dibutyl-3,3-dichlorocyclopropene.

Molecular Properties

Compound Name1,2-dibutyl-3,3-dichlorocyclopropene
PubChem CID134894468
Molecular FormulaC11H18Cl2
Molecular Weight221.17 g/mol
Exact Mass220.08
IUPAC Name1,2-dibutyl-3,3-dichlorocyclopropene
SMILESCCCCC1=C(CCCC)C1(Cl)Cl
InChIInChI=1S/C11H18Cl2/c1-3-5-7-9-10(8-6-4-2)11(9,12)13/h3-8H2,1-2H3
InChIKeyCIIPYVFMJSENDN-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3,3-dichlorocyclopropene?
The IUPAC name of 1,2-dibutyl-3,3-dichlorocyclopropene (CID 134894468) is 1,2-dibutyl-3,3-dichlorocyclopropene.
What is the SMILES notation for 1,2-dibutyl-3,3-dichlorocyclopropene?
The canonical SMILES for 1,2-dibutyl-3,3-dichlorocyclopropene is CCCCC1=C(CCCC)C1(Cl)Cl.
What is the InChIKey of 1,2-dibutyl-3,3-dichlorocyclopropene?
The InChIKey is CIIPYVFMJSENDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2/c1-3-5-7-9-10(8-6-4-2)11(9,12)13/h3-8H2,1-2H3.
What are the key properties of 1,2-dibutyl-3,3-dichlorocyclopropene?
1,2-dibutyl-3,3-dichlorocyclopropene has a molecular weight of 221.17 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-3,3-dichlorocyclopropene is sourced from PubChem (CID 134894468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).