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

C12H18O3 — CID 10536424

IUPAC(4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one
SMILESO=C1CC[C@H]2[C@@H](CCCC23OCCO3)C1
InChIInChI=1S/C12H18O3/c13-10-3-4-11-9(8-10)2-1-5-12(11)14-6-7-15-12/h9,11H,1-8H2/t9-,11-/m0/s1
InChIKeyCFKONQZMESNWLA-ONGXEEELSA-N
MW210.27 g/mol
LogP1.90
Rot. Bonds

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

(4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one (PubChem CID 10536424) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one.

Molecular Properties

Compound Name(4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one
PubChem CID10536424
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one
SMILESO=C1CC[C@H]2[C@@H](CCCC23OCCO3)C1
InChIInChI=1S/C12H18O3/c13-10-3-4-11-9(8-10)2-1-5-12(11)14-6-7-15-12/h9,11H,1-8H2/t9-,11-/m0/s1
InChIKeyCFKONQZMESNWLA-ONGXEEELSA-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 (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
The IUPAC name of (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one (CID 10536424) is (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one.
What is the SMILES notation for (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
The canonical SMILES for (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one is O=C1CC[C@H]2[C@@H](CCCC23OCCO3)C1.
What is the InChIKey of (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
The InChIKey is CFKONQZMESNWLA-ONGXEEELSA-N. The full InChI is InChI=1S/C12H18O3/c13-10-3-4-11-9(8-10)2-1-5-12(11)14-6-7-15-12/h9,11H,1-8H2/t9-,11-/m0/s1.
What are the key properties of (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
(4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-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 (4aS,8aS)-spiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one is sourced from PubChem (CID 10536424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).