7,7-diethynyldispiro[2.0.24.13]heptane

C11H10 — CID 11829556

IUPAC7,7-diethynyldispiro[2.0.24.13]heptane
SMILESC#CC1(C#C)C2(CC2)C12CC2
InChIInChI=1S/C11H10/c1-3-9(4-2)10(5-6-10)11(9)7-8-11/h1-2H,5-8H2
InChIKeyJUHBNWQPAGPNGY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.81
Rot. Bonds

About 7,7-diethynyldispiro[2.0.24.13]heptane

7,7-diethynyldispiro[2.0.24.13]heptane (PubChem CID 11829556) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is 7,7-diethynyldispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7,7-diethynyldispiro[2.0.24.13]heptane
PubChem CID11829556
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name7,7-diethynyldispiro[2.0.24.13]heptane
SMILESC#CC1(C#C)C2(CC2)C12CC2
InChIInChI=1S/C11H10/c1-3-9(4-2)10(5-6-10)11(9)7-8-11/h1-2H,5-8H2
InChIKeyJUHBNWQPAGPNGY-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.81
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 7,7-diethynyldispiro[2.0.24.13]heptane?
The IUPAC name of 7,7-diethynyldispiro[2.0.24.13]heptane (CID 11829556) is 7,7-diethynyldispiro[2.0.24.13]heptane.
What is the SMILES notation for 7,7-diethynyldispiro[2.0.24.13]heptane?
The canonical SMILES for 7,7-diethynyldispiro[2.0.24.13]heptane is C#CC1(C#C)C2(CC2)C12CC2.
What is the InChIKey of 7,7-diethynyldispiro[2.0.24.13]heptane?
The InChIKey is JUHBNWQPAGPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-3-9(4-2)10(5-6-10)11(9)7-8-11/h1-2H,5-8H2.
What are the key properties of 7,7-diethynyldispiro[2.0.24.13]heptane?
7,7-diethynyldispiro[2.0.24.13]heptane has a molecular weight of 142.20 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethynyldispiro[2.0.24.13]heptane is sourced from PubChem (CID 11829556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).