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

C12H16O3 — CID 14063434

IUPACspiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one
SMILESO=C1C=C2CCCC3(OCCO3)C2CC1
InChIInChI=1S/C12H16O3/c13-10-3-4-11-9(8-10)2-1-5-12(11)14-6-7-15-12/h8,11H,1-7H2
InChIKeyLXJXKVWEVMOIOL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds

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

spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one (PubChem CID 14063434) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one
PubChem CID14063434
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namespiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one
SMILESO=C1C=C2CCCC3(OCCO3)C2CC1
InChIInChI=1S/C12H16O3/c13-10-3-4-11-9(8-10)2-1-5-12(11)14-6-7-15-12/h8,11H,1-7H2
InChIKeyLXJXKVWEVMOIOL-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one (CID 14063434) is spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one is O=C1C=C2CCCC3(OCCO3)C2CC1.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one?
The InChIKey is LXJXKVWEVMOIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-10-3-4-11-9(8-10)2-1-5-12(11)14-6-7-15-12/h8,11H,1-7H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one?
spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one has a molecular weight of 208.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8-hexahydronaphthalene]-2'-one is sourced from PubChem (CID 14063434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).