prop-1-enoxycyclopropane

C6H10O — CID 68845032

IUPACprop-1-enoxycyclopropane
SMILESCC=COC1CC1
InChIInChI=1S/C6H10O/c1-2-5-7-6-3-4-6/h2,5-6H,3-4H2,1H3
InChIKeyDXOLTPXOYJYGJC-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.70
Rot. Bonds2

About prop-1-enoxycyclopropane

prop-1-enoxycyclopropane (PubChem CID 68845032) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is prop-1-enoxycyclopropane.

Molecular Properties

Compound Nameprop-1-enoxycyclopropane
PubChem CID68845032
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Nameprop-1-enoxycyclopropane
SMILESCC=COC1CC1
InChIInChI=1S/C6H10O/c1-2-5-7-6-3-4-6/h2,5-6H,3-4H2,1H3
InChIKeyDXOLTPXOYJYGJC-UHFFFAOYSA-N
XLogP1.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-enoxycyclopropane?
The IUPAC name of prop-1-enoxycyclopropane (CID 68845032) is prop-1-enoxycyclopropane.
What is the SMILES notation for prop-1-enoxycyclopropane?
The canonical SMILES for prop-1-enoxycyclopropane is CC=COC1CC1.
What is the InChIKey of prop-1-enoxycyclopropane?
The InChIKey is DXOLTPXOYJYGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-5-7-6-3-4-6/h2,5-6H,3-4H2,1H3.
What are the key properties of prop-1-enoxycyclopropane?
prop-1-enoxycyclopropane has a molecular weight of 98.14 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enoxycyclopropane is sourced from PubChem (CID 68845032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).