3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione

C15H22O4 — CID 15407182

IUPAC3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
SMILESCC1=CCC2(C(=O)OC(C)(C)OC2=O)C(C(C)C)C1
InChIInChI=1S/C15H22O4/c1-9(2)11-8-10(3)6-7-15(11)12(16)18-14(4,5)19-13(15)17/h6,9,11H,7-8H2,1-5H3
InChIKeyYTTUPZIVVQWNSL-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.82
Rot. Bonds1

About 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione

3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione (PubChem CID 15407182) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione.

Molecular Properties

Compound Name3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
PubChem CID15407182
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
SMILESCC1=CCC2(C(=O)OC(C)(C)OC2=O)C(C(C)C)C1
InChIInChI=1S/C15H22O4/c1-9(2)11-8-10(3)6-7-15(11)12(16)18-14(4,5)19-13(15)17/h6,9,11H,7-8H2,1-5H3
InChIKeyYTTUPZIVVQWNSL-UHFFFAOYSA-N
XLogP2.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2-(3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl)acetate
CID 927451
3-Cyclohexene-1-carboxylic acid, 1-acetyl-4,6-dimethyl-, ethyl ester
CID 106763
9,9,12-Trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene-7,11-dione
CID 68723030
2,3,8,8-Tetramethyl-7,9-dioxaspiro[4.5]dec-3-ene-6,10-dione
CID 101226977
CID 101809775
CID 101809775
2,2-dimethyl-5-(2-methylbuta-2,3-dienyl)-5-[(2E)-penta-2,4-dienyl]-1,3-dioxane-4,6-dione
CID 101916611
1-O'-tert-butyl 1-O-methyl (1R,6S)-3,6-dimethylcyclohex-3-ene-1,1-dicarboxylate
CID 134979348
1-O'-tert-butyl 1-O-methyl (1R,6S)-4,6-dimethylcyclohex-3-ene-1,1-dicarboxylate
CID 134980822
1-O-methyl 1-O'-propan-2-yl (1R,6S)-3,6-dimethylcyclohex-3-ene-1,1-dicarboxylate
CID 134992311
1-O-methyl 1-O'-propan-2-yl (1R,6S)-4,6-dimethylcyclohex-3-ene-1,1-dicarboxylate
CID 134992519
5-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 139214245
Ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate
CID 3019437

Frequently Asked Questions

What is the IUPAC name of 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
The IUPAC name of 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione (CID 15407182) is 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione.
What is the SMILES notation for 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
The canonical SMILES for 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione is CC1=CCC2(C(=O)OC(C)(C)OC2=O)C(C(C)C)C1.
What is the InChIKey of 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
The InChIKey is YTTUPZIVVQWNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-9(2)11-8-10(3)6-7-15(11)12(16)18-14(4,5)19-13(15)17/h6,9,11H,7-8H2,1-5H3.
What are the key properties of 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione has a molecular weight of 266.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,9-trimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione is sourced from PubChem (CID 15407182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).