(5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione

C11H14O4 — CID 162418441

IUPAC(5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione
SMILESCC1=C[C@]2(OC(=O)C1)C(=O)OCC2(C)C
InChIInChI=1S/C11H14O4/c1-7-4-8(12)15-11(5-7)9(13)14-6-10(11,2)3/h5H,4,6H2,1-3H3/t11-/m0/s1
InChIKeyCSIYDLXLVZUSHL-NSHDSACASA-N
MW210.23 g/mol
LogP1.20
Rot. Bonds

About (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione

(5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione (PubChem CID 162418441) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione.

Molecular Properties

Compound Name(5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione
PubChem CID162418441
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione
SMILESCC1=C[C@]2(OC(=O)C1)C(=O)OCC2(C)C
InChIInChI=1S/C11H14O4/c1-7-4-8(12)15-11(5-7)9(13)14-6-10(11,2)3/h5H,4,6H2,1-3H3/t11-/m0/s1
InChIKeyCSIYDLXLVZUSHL-NSHDSACASA-N
XLogP1.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 175887369
3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
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(7aS)-6,7a-dimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
CID 89243051
(4R)-4-(dichloromethyl)-4-methyloxetan-2-one
CID 131848322
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
1,3,5,7-tetramethylbicyclo[5.1.0]octa-2,5-diene
CID 101126503
(5R)-4,4-dimethyl-9-phenyl-2,6-dioxaspiro[4.5]dec-8-ene-1,7-dione
CID 162418224
(4R,5S)-4-hydroxy-4,9,9-trimethyl-1,7-dioxaspiro[4.4]nonan-6-one
CID 122379684
3,3-dimethyloxetan-2-one;ethenone;formaldehyde
CID 165098325
2,2-dimethyl-1,3-oxazinane-4,6-dione
CID 154006806
(3,4,4-trimethyl-5-oxooxolan-3-yl) formate
CID 126663955

Frequently Asked Questions

What is the IUPAC name of (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione?
The IUPAC name of (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione (CID 162418441) is (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione.
What is the SMILES notation for (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione?
The canonical SMILES for (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione is CC1=C[C@]2(OC(=O)C1)C(=O)OCC2(C)C.
What is the InChIKey of (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione?
The InChIKey is CSIYDLXLVZUSHL-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O4/c1-7-4-8(12)15-11(5-7)9(13)14-6-10(11,2)3/h5H,4,6H2,1-3H3/t11-/m0/s1.
What are the key properties of (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione?
(5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione has a molecular weight of 210.23 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,4,9-trimethyl-2,6-dioxaspiro[4.5]dec-9-ene-1,7-dione is sourced from PubChem (CID 162418441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).