(5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione

C13H16O4 — CID 58003186

IUPAC(5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione
SMILESC=CC1CC(C=C)[C@@]2(C1)OC(=O)[C@H](C)OC2=O
InChIInChI=1S/C13H16O4/c1-4-9-6-10(5-2)13(7-9)12(15)16-8(3)11(14)17-13/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9?,10?,13+/m0/s1
InChIKeyBOCJGAAUBNKRGA-PPVZGCELSA-N
MW236.27 g/mol
LogP1.61
Rot. Bonds2

About (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione

(5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione (PubChem CID 58003186) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name(5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione
PubChem CID58003186
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione
SMILESC=CC1CC(C=C)[C@@]2(C1)OC(=O)[C@H](C)OC2=O
InChIInChI=1S/C13H16O4/c1-4-9-6-10(5-2)13(7-9)12(15)16-8(3)11(14)17-13/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9?,10?,13+/m0/s1
InChIKeyBOCJGAAUBNKRGA-PPVZGCELSA-N
XLogP1.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione?
The IUPAC name of (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione (CID 58003186) is (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione?
The canonical SMILES for (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione is C=CC1CC(C=C)[C@@]2(C1)OC(=O)[C@H](C)OC2=O.
What is the InChIKey of (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione?
The InChIKey is BOCJGAAUBNKRGA-PPVZGCELSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-9-6-10(5-2)13(7-9)12(15)16-8(3)11(14)17-13/h4-5,8-10H,1-2,6-7H2,3H3/t8-,9?,10?,13+/m0/s1.
What are the key properties of (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione?
(5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione has a molecular weight of 236.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8S)-2,4-bis(ethenyl)-8-methyl-6,9-dioxaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 58003186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).