1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde

C9H12O3 — CID 15311813

IUPAC1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde
SMILESO=CC1=CCCCC12OCCO2
InChIInChI=1S/C9H12O3/c10-7-8-3-1-2-4-9(8)11-5-6-12-9/h3,7H,1-2,4-6H2
InChIKeySWARFNQCGSACIU-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.04
Rot. Bonds1

About 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde

1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde (PubChem CID 15311813) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde
PubChem CID15311813
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde
SMILESO=CC1=CCCCC12OCCO2
InChIInChI=1S/C9H12O3/c10-7-8-3-1-2-4-9(8)11-5-6-12-9/h3,7H,1-2,4-6H2
InChIKeySWARFNQCGSACIU-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.04
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

1,4-Dioxaspiro[4.5]dec-7-ene-7-carbaldehyde
CID 359537
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
Methyl 1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 12854654
1,4-Dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14753677
(2R,5S)-2-butyl-5-methoxy-2,5-dihydrofuran-3-carbaldehyde
CID 10487734
(3aS,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carbaldehyde
CID 10965149
1-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)-7-methyloct-6-en-1-one
CID 10989560
(3aR,7aS)-2,2-dimethyl-6-oxo-7,7a-dihydro-3aH-1,3-benzodioxole-5-carbaldehyde
CID 11513926
1,4-Dioxaspiro[4.4]non-6-ene-6-carbaldehyde
CID 12454217
1-(1,4-Dioxaspiro[4.4]non-8-en-9-yl)ethanone
CID 13006366
3-(1,4-Dioxaspiro[4.5]dec-6-en-6-yl)propanal
CID 56929968

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde?
The IUPAC name of 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde (CID 15311813) is 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde.
What is the SMILES notation for 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde?
The canonical SMILES for 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde is O=CC1=CCCCC12OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde?
The InChIKey is SWARFNQCGSACIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-8-3-1-2-4-9(8)11-5-6-12-9/h3,7H,1-2,4-6H2.
What are the key properties of 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde?
1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde has a molecular weight of 168.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]dec-6-ene-6-carbaldehyde is sourced from PubChem (CID 15311813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).