9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde

C15H24O2 — CID 123970495

IUPAC9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde
SMILESCCC1CCCC2(CCC1)OCC(C)=C2C=O
InChIInChI=1S/C15H24O2/c1-3-13-6-4-8-15(9-5-7-13)14(10-16)12(2)11-17-15/h10,13H,3-9,11H2,1-2H3
InChIKeyYTNYADUSBLOUBZ-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds2

About 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde

9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde (PubChem CID 123970495) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde.

Molecular Properties

Compound Name9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde
PubChem CID123970495
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde
SMILESCCC1CCCC2(CCC1)OCC(C)=C2C=O
InChIInChI=1S/C15H24O2/c1-3-13-6-4-8-15(9-5-7-13)14(10-16)12(2)11-17-15/h10,13H,3-9,11H2,1-2H3
InChIKeyYTNYADUSBLOUBZ-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Pentyl-1,3,5,6-tetrahydrocyclopenta[c]furan-4-one
CID 91447347
ethyl 2,4,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulene-3-carboxylate
CID 118362943
1-(3-methyl-5,5-dipropyl-2H-furan-4-yl)hexan-1-one
CID 144448430

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde?
The IUPAC name of 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde (CID 123970495) is 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde.
What is the SMILES notation for 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde?
The canonical SMILES for 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde is CCC1CCCC2(CCC1)OCC(C)=C2C=O.
What is the InChIKey of 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde?
The InChIKey is YTNYADUSBLOUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-13-6-4-8-15(9-5-7-13)14(10-16)12(2)11-17-15/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde?
9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde has a molecular weight of 236.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-methyl-1-oxaspiro[4.7]dodec-3-ene-4-carbaldehyde is sourced from PubChem (CID 123970495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).