2-ethenyl-5-ethylideneoxane

C9H14O — CID 175709330

IUPAC2-ethenyl-5-ethylideneoxane
SMILESC=CC1CCC(=CC)CO1
InChIInChI=1S/C9H14O/c1-3-8-5-6-9(4-2)10-7-8/h3-4,9H,2,5-7H2,1H3
InChIKeyIHSAELSECIDMSU-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds1

About 2-ethenyl-5-ethylideneoxane

2-ethenyl-5-ethylideneoxane (PubChem CID 175709330) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethenyl-5-ethylideneoxane.

Molecular Properties

Compound Name2-ethenyl-5-ethylideneoxane
PubChem CID175709330
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-ethenyl-5-ethylideneoxane
SMILESC=CC1CCC(=CC)CO1
InChIInChI=1S/C9H14O/c1-3-8-5-6-9(4-2)10-7-8/h3-4,9H,2,5-7H2,1H3
InChIKeyIHSAELSECIDMSU-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethylideneoxane?
The IUPAC name of 2-ethenyl-5-ethylideneoxane (CID 175709330) is 2-ethenyl-5-ethylideneoxane.
What is the SMILES notation for 2-ethenyl-5-ethylideneoxane?
The canonical SMILES for 2-ethenyl-5-ethylideneoxane is C=CC1CCC(=CC)CO1.
What is the InChIKey of 2-ethenyl-5-ethylideneoxane?
The InChIKey is IHSAELSECIDMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8-5-6-9(4-2)10-7-8/h3-4,9H,2,5-7H2,1H3.
What are the key properties of 2-ethenyl-5-ethylideneoxane?
2-ethenyl-5-ethylideneoxane has a molecular weight of 138.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethylideneoxane is sourced from PubChem (CID 175709330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).