propoxycyclopropane

C6H12O — CID 20644600

IUPACpropoxycyclopropane
SMILESCCCOC1CC1
InChIInChI=1S/C6H12O/c1-2-5-7-6-3-4-6/h6H,2-5H2,1H3
InChIKeyXWNYYPGYMXWXPQ-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.58
Rot. Bonds3

About propoxycyclopropane

propoxycyclopropane (PubChem CID 20644600) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is propoxycyclopropane.

Molecular Properties

Compound Namepropoxycyclopropane
PubChem CID20644600
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Namepropoxycyclopropane
SMILESCCCOC1CC1
InChIInChI=1S/C6H12O/c1-2-5-7-6-3-4-6/h6H,2-5H2,1H3
InChIKeyXWNYYPGYMXWXPQ-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propoxycyclopropane?
The IUPAC name of propoxycyclopropane (CID 20644600) is propoxycyclopropane.
What is the SMILES notation for propoxycyclopropane?
The canonical SMILES for propoxycyclopropane is CCCOC1CC1.
What is the InChIKey of propoxycyclopropane?
The InChIKey is XWNYYPGYMXWXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-2-5-7-6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of propoxycyclopropane?
propoxycyclopropane has a molecular weight of 100.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propoxycyclopropane is sourced from PubChem (CID 20644600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).