(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one

C10H12O4 — CID 90861353

IUPAC(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one
SMILESC[C@]12CC=C(O1)C(=O)CC21OCCO1
InChIInChI=1S/C10H12O4/c1-9-3-2-8(14-9)7(11)6-10(9)12-4-5-13-10/h2H,3-6H2,1H3/t9-/m1/s1
InChIKeyZZIXTVIYQFXGTB-SECBINFHSA-N
MW196.20 g/mol
LogP0.77
Rot. Bonds

About (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one

(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one (PubChem CID 90861353) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one.

Molecular Properties

Compound Name(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one
PubChem CID90861353
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one
SMILESC[C@]12CC=C(O1)C(=O)CC21OCCO1
InChIInChI=1S/C10H12O4/c1-9-3-2-8(14-9)7(11)6-10(9)12-4-5-13-10/h2H,3-6H2,1H3/t9-/m1/s1
InChIKeyZZIXTVIYQFXGTB-SECBINFHSA-N
XLogP0.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one?
The IUPAC name of (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one (CID 90861353) is (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one.
What is the SMILES notation for (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one?
The canonical SMILES for (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one is C[C@]12CC=C(O1)C(=O)CC21OCCO1.
What is the InChIKey of (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one?
The InChIKey is ZZIXTVIYQFXGTB-SECBINFHSA-N. The full InChI is InChI=1S/C10H12O4/c1-9-3-2-8(14-9)7(11)6-10(9)12-4-5-13-10/h2H,3-6H2,1H3/t9-/m1/s1.
What are the key properties of (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one?
(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one has a molecular weight of 196.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one is sourced from PubChem (CID 90861353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).