(1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione

C10H12O4 — CID 122219892

IUPAC(1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione
SMILESC[C@H]1C[C@@H]2OC(=O)[C@H]3C(=O)OC[C@@H]1[C@@H]32
InChIInChI=1S/C10H12O4/c1-4-2-6-7-5(4)3-13-9(11)8(7)10(12)14-6/h4-8H,2-3H2,1H3/t4-,5-,6-,7+,8+/m0/s1
InChIKeyUAXMDBXWWFRSAK-QYYLWSOASA-N
MW196.20 g/mol
LogP0.36
Rot. Bonds

About (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione

(1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione (PubChem CID 122219892) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione.

Molecular Properties

Compound Name(1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione
PubChem CID122219892
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione
SMILESC[C@H]1C[C@@H]2OC(=O)[C@H]3C(=O)OC[C@@H]1[C@@H]32
InChIInChI=1S/C10H12O4/c1-4-2-6-7-5(4)3-13-9(11)8(7)10(12)14-6/h4-8H,2-3H2,1H3/t4-,5-,6-,7+,8+/m0/s1
InChIKeyUAXMDBXWWFRSAK-QYYLWSOASA-N
XLogP0.36
TPSA52.60 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 ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione with MolForge

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Related Compounds

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CID 10953469
(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-8-yl) acetate
CID 170231141
(10R)-10-methyl-5-oxatricyclo[5.2.1.03,8]decan-4-one
CID 58140396
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CID 58868408
(4aS,5S,7S,7aR)-5-hydroxy-7-methyl-4-methylidene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-one
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Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione?
The IUPAC name of (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione (CID 122219892) is (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione.
What is the SMILES notation for (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione?
The canonical SMILES for (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione is C[C@H]1C[C@@H]2OC(=O)[C@H]3C(=O)OC[C@@H]1[C@@H]32.
What is the InChIKey of (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione?
The InChIKey is UAXMDBXWWFRSAK-QYYLWSOASA-N. The full InChI is InChI=1S/C10H12O4/c1-4-2-6-7-5(4)3-13-9(11)8(7)10(12)14-6/h4-8H,2-3H2,1H3/t4-,5-,6-,7+,8+/m0/s1.
What are the key properties of (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione?
(1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione has a molecular weight of 196.20 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S,7S,11S)-6-methyl-3,9-dioxatricyclo[5.3.1.04,11]undecane-2,10-dione is sourced from PubChem (CID 122219892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).