(1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione

C10H10O4 — CID 44576041

IUPAC(1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione
SMILESC[C@H]1OC(=O)/C=C\C(=O)/C=C/[C@H]2O[C@@H]12
InChIInChI=1S/C10H10O4/c1-6-10-8(14-10)4-2-7(11)3-5-9(12)13-6/h2-6,8,10H,1H3/b4-2+,5-3-/t6-,8-,10+/m1/s1
InChIKeyRAWBOGKVAAFNEW-OBWSQBJISA-N
MW194.19 g/mol
LogP0.38
Rot. Bonds

About (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione

(1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione (PubChem CID 44576041) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione.

Molecular Properties

Compound Name(1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione
PubChem CID44576041
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione
SMILESC[C@H]1OC(=O)/C=C\C(=O)/C=C/[C@H]2O[C@@H]12
InChIInChI=1S/C10H10O4/c1-6-10-8(14-10)4-2-7(11)3-5-9(12)13-6/h2-6,8,10H,1H3/b4-2+,5-3-/t6-,8-,10+/m1/s1
InChIKeyRAWBOGKVAAFNEW-OBWSQBJISA-N
XLogP0.38
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione?
The IUPAC name of (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione (CID 44576041) is (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione.
What is the SMILES notation for (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione?
The canonical SMILES for (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione is C[C@H]1OC(=O)/C=C\C(=O)/C=C/[C@H]2O[C@@H]12.
What is the InChIKey of (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione?
The InChIKey is RAWBOGKVAAFNEW-OBWSQBJISA-N. The full InChI is InChI=1S/C10H10O4/c1-6-10-8(14-10)4-2-7(11)3-5-9(12)13-6/h2-6,8,10H,1H3/b4-2+,5-3-/t6-,8-,10+/m1/s1.
What are the key properties of (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione?
(1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione has a molecular weight of 194.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5Z,8E,10R)-2-methyl-3,11-dioxabicyclo[8.1.0]undeca-5,8-diene-4,7-dione is sourced from PubChem (CID 44576041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).