2-ethynyl-1,1-dimethylcyclopropane

C7H10 — CID 154507527

IUPAC2-ethynyl-1,1-dimethylcyclopropane
SMILESC#CC1CC1(C)C
InChIInChI=1S/C7H10/c1-4-6-5-7(6,2)3/h1,6H,5H2,2-3H3
InChIKeyPTMQBUOJGOAYDR-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.67
Rot. Bonds

About 2-ethynyl-1,1-dimethylcyclopropane

2-ethynyl-1,1-dimethylcyclopropane (PubChem CID 154507527) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 2-ethynyl-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-ethynyl-1,1-dimethylcyclopropane
PubChem CID154507527
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name2-ethynyl-1,1-dimethylcyclopropane
SMILESC#CC1CC1(C)C
InChIInChI=1S/C7H10/c1-4-6-5-7(6,2)3/h1,6H,5H2,2-3H3
InChIKeyPTMQBUOJGOAYDR-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.67
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 2-ethynyl-1,1-dimethylcyclopropane?
The IUPAC name of 2-ethynyl-1,1-dimethylcyclopropane (CID 154507527) is 2-ethynyl-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-ethynyl-1,1-dimethylcyclopropane?
The canonical SMILES for 2-ethynyl-1,1-dimethylcyclopropane is C#CC1CC1(C)C.
What is the InChIKey of 2-ethynyl-1,1-dimethylcyclopropane?
The InChIKey is PTMQBUOJGOAYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-4-6-5-7(6,2)3/h1,6H,5H2,2-3H3.
What are the key properties of 2-ethynyl-1,1-dimethylcyclopropane?
2-ethynyl-1,1-dimethylcyclopropane has a molecular weight of 94.16 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-1,1-dimethylcyclopropane is sourced from PubChem (CID 154507527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).