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

C12H16O3 — CID 134580092

IUPACspiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one
SMILESO=C1CCC2=C(C1)CC1(CC2)OCCO1
InChIInChI=1S/C12H16O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h1-8H2
InChIKeyHWMFJOFNRYUZJC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds

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

spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one (PubChem CID 134580092) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one.

Molecular Properties

Compound Namespiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one
PubChem CID134580092
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namespiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one
SMILESO=C1CCC2=C(C1)CC1(CC2)OCCO1
InChIInChI=1S/C12H16O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h1-8H2
InChIKeyHWMFJOFNRYUZJC-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one?
The IUPAC name of spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one (CID 134580092) is spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one.
What is the SMILES notation for spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one?
The canonical SMILES for spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one is O=C1CCC2=C(C1)CC1(CC2)OCCO1.
What is the InChIKey of spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one?
The InChIKey is HWMFJOFNRYUZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-2-1-9-3-4-12(8-10(9)7-11)14-5-6-15-12/h1-8H2.
What are the key properties of spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one?
spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,4,5,6,8-hexahydronaphthalene-7,2'-1,3-dioxolane]-2-one is sourced from PubChem (CID 134580092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).