propoxycyclopentane

C8H16O — CID 21491909

IUPACpropoxycyclopentane
SMILESCCCOC1CCCC1
InChIInChI=1S/C8H16O/c1-2-7-9-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyHEPMXJPHYFIYFP-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.36
Rot. Bonds3

About propoxycyclopentane

propoxycyclopentane (PubChem CID 21491909) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is propoxycyclopentane.

Molecular Properties

Compound Namepropoxycyclopentane
PubChem CID21491909
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namepropoxycyclopentane
SMILESCCCOC1CCCC1
InChIInChI=1S/C8H16O/c1-2-7-9-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyHEPMXJPHYFIYFP-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propoxycyclopentane?
The IUPAC name of propoxycyclopentane (CID 21491909) is propoxycyclopentane.
What is the SMILES notation for propoxycyclopentane?
The canonical SMILES for propoxycyclopentane is CCCOC1CCCC1.
What is the InChIKey of propoxycyclopentane?
The InChIKey is HEPMXJPHYFIYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-7-9-8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of propoxycyclopentane?
propoxycyclopentane has a molecular weight of 128.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propoxycyclopentane is sourced from PubChem (CID 21491909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).