cyclooctyne;cyclopropane

C11H18 — CID 175311188

IUPACcyclooctyne;cyclopropane
SMILESC1#CCCCCCC1.C1CC1
InChIInChI=1S/C8H12.C3H6/c1-2-4-6-8-7-5-3-1;1-2-3-1/h1-6H2;1-3H2
InChIKeyOYXWKACOBUSHKN-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.51
Rot. Bonds

About cyclooctyne;cyclopropane

cyclooctyne;cyclopropane (PubChem CID 175311188) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is cyclooctyne;cyclopropane.

Molecular Properties

Compound Namecyclooctyne;cyclopropane
PubChem CID175311188
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Namecyclooctyne;cyclopropane
SMILESC1#CCCCCCC1.C1CC1
InChIInChI=1S/C8H12.C3H6/c1-2-4-6-8-7-5-3-1;1-2-3-1/h1-6H2;1-3H2
InChIKeyOYXWKACOBUSHKN-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooctyne;cyclopropane?
The IUPAC name of cyclooctyne;cyclopropane (CID 175311188) is cyclooctyne;cyclopropane.
What is the SMILES notation for cyclooctyne;cyclopropane?
The canonical SMILES for cyclooctyne;cyclopropane is C1#CCCCCCC1.C1CC1.
What is the InChIKey of cyclooctyne;cyclopropane?
The InChIKey is OYXWKACOBUSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C3H6/c1-2-4-6-8-7-5-3-1;1-2-3-1/h1-6H2;1-3H2.
What are the key properties of cyclooctyne;cyclopropane?
cyclooctyne;cyclopropane has a molecular weight of 150.27 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyne;cyclopropane is sourced from PubChem (CID 175311188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).