1,1-diethynyl-2,2,3,3-tetramethylcyclopropane

C11H14 — CID 91333152

IUPAC1,1-diethynyl-2,2,3,3-tetramethylcyclopropane
SMILESC#CC1(C#C)C(C)(C)C1(C)C
InChIInChI=1S/C11H14/c1-7-11(8-2)9(3,4)10(11,5)6/h1-2H,3-6H3
InChIKeyBWKFYENSPVPKSD-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.31
Rot. Bonds

About 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane

1,1-diethynyl-2,2,3,3-tetramethylcyclopropane (PubChem CID 91333152) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane.

Molecular Properties

Compound Name1,1-diethynyl-2,2,3,3-tetramethylcyclopropane
PubChem CID91333152
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1,1-diethynyl-2,2,3,3-tetramethylcyclopropane
SMILESC#CC1(C#C)C(C)(C)C1(C)C
InChIInChI=1S/C11H14/c1-7-11(8-2)9(3,4)10(11,5)6/h1-2H,3-6H3
InChIKeyBWKFYENSPVPKSD-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.31
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 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane?
The IUPAC name of 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane (CID 91333152) is 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane.
What is the SMILES notation for 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane?
The canonical SMILES for 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane is C#CC1(C#C)C(C)(C)C1(C)C.
What is the InChIKey of 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane?
The InChIKey is BWKFYENSPVPKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-7-11(8-2)9(3,4)10(11,5)6/h1-2H,3-6H3.
What are the key properties of 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane?
1,1-diethynyl-2,2,3,3-tetramethylcyclopropane has a molecular weight of 146.23 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethynyl-2,2,3,3-tetramethylcyclopropane is sourced from PubChem (CID 91333152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).