1,2-dipentylcyclopropene

C13H24 — CID 549365

IUPAC1,2-dipentylcyclopropene
SMILESCCCCCC1=C(CCCCC)C1
InChIInChI=1S/C13H24/c1-3-5-7-9-12-11-13(12)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyXCRVVVWLTPRNIX-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.85
Rot. Bonds8

About 1,2-dipentylcyclopropene

1,2-dipentylcyclopropene (PubChem CID 549365) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,2-dipentylcyclopropene.

Molecular Properties

Compound Name1,2-dipentylcyclopropene
PubChem CID549365
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,2-dipentylcyclopropene
SMILESCCCCCC1=C(CCCCC)C1
InChIInChI=1S/C13H24/c1-3-5-7-9-12-11-13(12)10-8-6-4-2/h3-11H2,1-2H3
InChIKeyXCRVVVWLTPRNIX-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-dipentylcyclopropene?
The IUPAC name of 1,2-dipentylcyclopropene (CID 549365) is 1,2-dipentylcyclopropene.
What is the SMILES notation for 1,2-dipentylcyclopropene?
The canonical SMILES for 1,2-dipentylcyclopropene is CCCCCC1=C(CCCCC)C1.
What is the InChIKey of 1,2-dipentylcyclopropene?
The InChIKey is XCRVVVWLTPRNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-5-7-9-12-11-13(12)10-8-6-4-2/h3-11H2,1-2H3.
What are the key properties of 1,2-dipentylcyclopropene?
1,2-dipentylcyclopropene has a molecular weight of 180.33 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipentylcyclopropene is sourced from PubChem (CID 549365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).