3-pentyloxetane

C8H16O — CID 54218878

IUPAC3-pentyloxetane
SMILESCCCCCC1COC1
InChIInChI=1S/C8H16O/c1-2-3-4-5-8-6-9-7-8/h8H,2-7H2,1H3
InChIKeyBSNGRUGHNYZZFP-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds4

About 3-pentyloxetane

3-pentyloxetane (PubChem CID 54218878) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-pentyloxetane.

Molecular Properties

Compound Name3-pentyloxetane
PubChem CID54218878
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name3-pentyloxetane
SMILESCCCCCC1COC1
InChIInChI=1S/C8H16O/c1-2-3-4-5-8-6-9-7-8/h8H,2-7H2,1H3
InChIKeyBSNGRUGHNYZZFP-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyloxetane?
The IUPAC name of 3-pentyloxetane (CID 54218878) is 3-pentyloxetane.
What is the SMILES notation for 3-pentyloxetane?
The canonical SMILES for 3-pentyloxetane is CCCCCC1COC1.
What is the InChIKey of 3-pentyloxetane?
The InChIKey is BSNGRUGHNYZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-3-4-5-8-6-9-7-8/h8H,2-7H2,1H3.
What are the key properties of 3-pentyloxetane?
3-pentyloxetane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyloxetane is sourced from PubChem (CID 54218878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).