1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde

C8H10O3 — CID 57347026

IUPAC1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde
SMILESO=CC1=CC2(CC1)OCCO2
InChIInChI=1S/C8H10O3/c9-6-7-1-2-8(5-7)10-3-4-11-8/h5-6H,1-4H2
InChIKeyIYIRPDXGYOYEAL-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds1

About 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde

1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde (PubChem CID 57347026) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde.

Molecular Properties

Compound Name1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde
PubChem CID57347026
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde
SMILESO=CC1=CC2(CC1)OCCO2
InChIInChI=1S/C8H10O3/c9-6-7-1-2-8(5-7)10-3-4-11-8/h5-6H,1-4H2
InChIKeyIYIRPDXGYOYEAL-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-Dioxolan-2-yl)cyclopent-2-en-1-one
CID 130031336
2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 10329698
(3aR,6aS)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 12179764
1,4-Dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14753677
(3aS,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carbaldehyde
CID 10965149
[(3aR,6R,6aS)-4-formyl-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl] methyl carbonate
CID 11333960
1,4-Dioxaspiro[4.4]non-6-ene-6-carbaldehyde
CID 12454217
1,4-Dioxaspiro[4.5]dec-6-ene-6-carbaldehyde
CID 15311813
3-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)propanal
CID 56929968
9-Ethyl-1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde
CID 85585673
(3R)-3-(methoxymethoxy)cyclopentene-1-carbaldehyde
CID 131227891

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde?
The IUPAC name of 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde (CID 57347026) is 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde.
What is the SMILES notation for 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde?
The canonical SMILES for 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde is O=CC1=CC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde?
The InChIKey is IYIRPDXGYOYEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-7-1-2-8(5-7)10-3-4-11-8/h5-6H,1-4H2.
What are the key properties of 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde?
1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde has a molecular weight of 154.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde is sourced from PubChem (CID 57347026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).