6-ethenyl-3-ethylideneoxane-2-carbaldehyde

C10H14O2 — CID 175126415

IUPAC6-ethenyl-3-ethylideneoxane-2-carbaldehyde
SMILESC=CC1CCC(=CC)C(C=O)O1
InChIInChI=1S/C10H14O2/c1-3-8-5-6-9(4-2)12-10(8)7-11/h3-4,7,9-10H,2,5-6H2,1H3
InChIKeyYTVBXPYRYSIXEF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.87
Rot. Bonds2

About 6-ethenyl-3-ethylideneoxane-2-carbaldehyde

6-ethenyl-3-ethylideneoxane-2-carbaldehyde (PubChem CID 175126415) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-ethenyl-3-ethylideneoxane-2-carbaldehyde.

Molecular Properties

Compound Name6-ethenyl-3-ethylideneoxane-2-carbaldehyde
PubChem CID175126415
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-ethenyl-3-ethylideneoxane-2-carbaldehyde
SMILESC=CC1CCC(=CC)C(C=O)O1
InChIInChI=1S/C10H14O2/c1-3-8-5-6-9(4-2)12-10(8)7-11/h3-4,7,9-10H,2,5-6H2,1H3
InChIKeyYTVBXPYRYSIXEF-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-ethylideneoxane-2-carbaldehyde?
The IUPAC name of 6-ethenyl-3-ethylideneoxane-2-carbaldehyde (CID 175126415) is 6-ethenyl-3-ethylideneoxane-2-carbaldehyde.
What is the SMILES notation for 6-ethenyl-3-ethylideneoxane-2-carbaldehyde?
The canonical SMILES for 6-ethenyl-3-ethylideneoxane-2-carbaldehyde is C=CC1CCC(=CC)C(C=O)O1.
What is the InChIKey of 6-ethenyl-3-ethylideneoxane-2-carbaldehyde?
The InChIKey is YTVBXPYRYSIXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-8-5-6-9(4-2)12-10(8)7-11/h3-4,7,9-10H,2,5-6H2,1H3.
What are the key properties of 6-ethenyl-3-ethylideneoxane-2-carbaldehyde?
6-ethenyl-3-ethylideneoxane-2-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-ethylideneoxane-2-carbaldehyde is sourced from PubChem (CID 175126415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).