8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C12H18O4 — CID 102650659

IUPAC8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(C2=CCCO2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H18O4/c13-11(10-2-1-7-14-10)3-5-12(6-4-11)15-8-9-16-12/h2,13H,1,3-9H2
InChIKeyGLPYYNWJDLLEFE-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.34
Rot. Bonds1

About 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 102650659) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID102650659
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(C2=CCCO2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H18O4/c13-11(10-2-1-7-14-10)3-5-12(6-4-11)15-8-9-16-12/h2,13H,1,3-9H2
InChIKeyGLPYYNWJDLLEFE-UHFFFAOYSA-N
XLogP1.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 102650659) is 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(C2=CCCO2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is GLPYYNWJDLLEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c13-11(10-2-1-7-14-10)3-5-12(6-4-11)15-8-9-16-12/h2,13H,1,3-9H2.
What are the key properties of 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 226.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydrofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 102650659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).