8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde

C12H16O3 — CID 71372532

IUPAC8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESC=CCC1(C=O)C=CC2(CC1)OCCO2
InChIInChI=1S/C12H16O3/c1-2-3-11(10-13)4-6-12(7-5-11)14-8-9-15-12/h2,4,6,10H,1,3,5,7-9H2
InChIKeyFLSDNFVIBCDRAP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds3

About 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde

8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (PubChem CID 71372532) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.

Molecular Properties

Compound Name8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
PubChem CID71372532
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESC=CCC1(C=O)C=CC2(CC1)OCCO2
InChIInChI=1S/C12H16O3/c1-2-3-11(10-13)4-6-12(7-5-11)14-8-9-15-12/h2,4,6,10H,1,3,5,7-9H2
InChIKeyFLSDNFVIBCDRAP-UHFFFAOYSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The IUPAC name of 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (CID 71372532) is 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.
What is the SMILES notation for 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The canonical SMILES for 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is C=CCC1(C=O)C=CC2(CC1)OCCO2.
What is the InChIKey of 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The InChIKey is FLSDNFVIBCDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-3-11(10-13)4-6-12(7-5-11)14-8-9-15-12/h2,4,6,10H,1,3,5,7-9H2.
What are the key properties of 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is sourced from PubChem (CID 71372532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).