1-ethynyl-1-methoxycyclopropane

C6H8O — CID 91501293

IUPAC1-ethynyl-1-methoxycyclopropane
SMILESC#CC1(OC)CC1
InChIInChI=1S/C6H8O/c1-3-6(7-2)4-5-6/h1H,4-5H2,2H3
InChIKeyBBQJMAFFEIERNK-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.80
Rot. Bonds1

About 1-ethynyl-1-methoxycyclopropane

1-ethynyl-1-methoxycyclopropane (PubChem CID 91501293) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-ethynyl-1-methoxycyclopropane.

Molecular Properties

Compound Name1-ethynyl-1-methoxycyclopropane
PubChem CID91501293
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name1-ethynyl-1-methoxycyclopropane
SMILESC#CC1(OC)CC1
InChIInChI=1S/C6H8O/c1-3-6(7-2)4-5-6/h1H,4-5H2,2H3
InChIKeyBBQJMAFFEIERNK-UHFFFAOYSA-N
XLogP0.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethynyl-1-methoxycyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-1-methoxycyclopropane?
The IUPAC name of 1-ethynyl-1-methoxycyclopropane (CID 91501293) is 1-ethynyl-1-methoxycyclopropane.
What is the SMILES notation for 1-ethynyl-1-methoxycyclopropane?
The canonical SMILES for 1-ethynyl-1-methoxycyclopropane is C#CC1(OC)CC1.
What is the InChIKey of 1-ethynyl-1-methoxycyclopropane?
The InChIKey is BBQJMAFFEIERNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-6(7-2)4-5-6/h1H,4-5H2,2H3.
What are the key properties of 1-ethynyl-1-methoxycyclopropane?
1-ethynyl-1-methoxycyclopropane has a molecular weight of 96.13 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-1-methoxycyclopropane is sourced from PubChem (CID 91501293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).