spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one

C12H18O3 — CID 567460

IUPACspiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one
SMILESO=C1CCC2CC3(CCC2C1)OCCO3
InChIInChI=1S/C12H18O3/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h9-10H,1-8H2
InChIKeyYZNMYYFGVGLPOA-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.90
Rot. Bonds

About spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one

spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one (PubChem CID 567460) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one.

Molecular Properties

Compound Namespiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one
PubChem CID567460
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Namespiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one
SMILESO=C1CCC2CC3(CCC2C1)OCCO3
InChIInChI=1S/C12H18O3/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h9-10H,1-8H2
InChIKeyYZNMYYFGVGLPOA-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one?
The IUPAC name of spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one (CID 567460) is spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one.
What is the SMILES notation for spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one?
The canonical SMILES for spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one is O=C1CCC2CC3(CCC2C1)OCCO3.
What is the InChIKey of spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one?
The InChIKey is YZNMYYFGVGLPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h9-10H,1-8H2.
What are the key properties of spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one?
spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one has a molecular weight of 210.27 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,4,4a,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-2-one is sourced from PubChem (CID 567460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).