2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene

C14H24O3 — CID 44605100

IUPAC2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene
SMILESCCOC1=CCC2(CCCCC2)OC1OCC
InChIInChI=1S/C14H24O3/c1-3-15-12-8-11-14(9-6-5-7-10-14)17-13(12)16-4-2/h8,13H,3-7,9-11H2,1-2H3
InChIKeyKGYFIOSEMHTJRE-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.39
Rot. Bonds4

About 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene

2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene (PubChem CID 44605100) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene.

Molecular Properties

Compound Name2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene
PubChem CID44605100
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene
SMILESCCOC1=CCC2(CCCCC2)OC1OCC
InChIInChI=1S/C14H24O3/c1-3-15-12-8-11-14(9-6-5-7-10-14)17-13(12)16-4-2/h8,13H,3-7,9-11H2,1-2H3
InChIKeyKGYFIOSEMHTJRE-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44605098
(2S,6R)-5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 44606206
6-butan-2-yl-3-[1-(2-cyclohexylethoxy)ethoxy]-2H-pyran
CID 130239976
2-Methoxy-1-oxaspiro[4.5]dec-3-ene
CID 13070952
2-cyclohexyl-6-methoxy-4-methyl-3,6-dihydro-2H-pyran
CID 13492033
1-[(E)-3,4,4-triethoxybut-2-enyl]cyclohexan-1-ol
CID 44604900
5,6-diethoxy-2-hexyl-3,6-dihydro-2H-pyran
CID 75079754
1-[(Z)-3,4,4-triethoxybut-2-enyl]cyclohexan-1-ol
CID 102298452

Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene?
The IUPAC name of 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene (CID 44605100) is 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene.
What is the SMILES notation for 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene?
The canonical SMILES for 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene is CCOC1=CCC2(CCCCC2)OC1OCC.
What is the InChIKey of 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene?
The InChIKey is KGYFIOSEMHTJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-15-12-8-11-14(9-6-5-7-10-14)17-13(12)16-4-2/h8,13H,3-7,9-11H2,1-2H3.
What are the key properties of 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene?
2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene has a molecular weight of 240.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-1-oxaspiro[5.5]undec-3-ene is sourced from PubChem (CID 44605100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).