3-ethenoxyoxepane

C8H14O2 — CID 176604833

IUPAC3-ethenoxyoxepane
SMILESC=COC1CCCCOC1
InChIInChI=1S/C8H14O2/c1-2-10-8-5-3-4-6-9-7-8/h2,8H,1,3-7H2
InChIKeyBGVGDPAKPUZIEJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds2

About 3-ethenoxyoxepane

3-ethenoxyoxepane (PubChem CID 176604833) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethenoxyoxepane.

Molecular Properties

Compound Name3-ethenoxyoxepane
PubChem CID176604833
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethenoxyoxepane
SMILESC=COC1CCCCOC1
InChIInChI=1S/C8H14O2/c1-2-10-8-5-3-4-6-9-7-8/h2,8H,1,3-7H2
InChIKeyBGVGDPAKPUZIEJ-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethenoxyoxepane?
The IUPAC name of 3-ethenoxyoxepane (CID 176604833) is 3-ethenoxyoxepane.
What is the SMILES notation for 3-ethenoxyoxepane?
The canonical SMILES for 3-ethenoxyoxepane is C=COC1CCCCOC1.
What is the InChIKey of 3-ethenoxyoxepane?
The InChIKey is BGVGDPAKPUZIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-10-8-5-3-4-6-9-7-8/h2,8H,1,3-7H2.
What are the key properties of 3-ethenoxyoxepane?
3-ethenoxyoxepane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxyoxepane is sourced from PubChem (CID 176604833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).