propan-2-yloxycyclopentane

C8H16O — CID 13427980

IUPACpropan-2-yloxycyclopentane
SMILESCC(C)OC1CCCC1
InChIInChI=1S/C8H16O/c1-7(2)9-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyXSXHNHNXEICRHE-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.35
Rot. Bonds2

About propan-2-yloxycyclopentane

propan-2-yloxycyclopentane (PubChem CID 13427980) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is propan-2-yloxycyclopentane.

Molecular Properties

Compound Namepropan-2-yloxycyclopentane
PubChem CID13427980
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Namepropan-2-yloxycyclopentane
SMILESCC(C)OC1CCCC1
InChIInChI=1S/C8H16O/c1-7(2)9-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyXSXHNHNXEICRHE-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-yloxycyclopentane?
The IUPAC name of propan-2-yloxycyclopentane (CID 13427980) is propan-2-yloxycyclopentane.
What is the SMILES notation for propan-2-yloxycyclopentane?
The canonical SMILES for propan-2-yloxycyclopentane is CC(C)OC1CCCC1.
What is the InChIKey of propan-2-yloxycyclopentane?
The InChIKey is XSXHNHNXEICRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)9-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of propan-2-yloxycyclopentane?
propan-2-yloxycyclopentane has a molecular weight of 128.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycyclopentane is sourced from PubChem (CID 13427980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).