3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione

C13H18O4 — CID 101157409

IUPAC3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
SMILESCC1=CCC(C)C2(C1)C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C13H18O4/c1-8-5-6-9(2)13(7-8)10(14)16-12(3,4)17-11(13)15/h5,9H,6-7H2,1-4H3
InChIKeyOJLKBFQASRMKEE-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.19
Rot. Bonds

About 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione

3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione (PubChem CID 101157409) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione.

Molecular Properties

Compound Name3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
PubChem CID101157409
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione
SMILESCC1=CCC(C)C2(C1)C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C13H18O4/c1-8-5-6-9(2)13(7-8)10(14)16-12(3,4)17-11(13)15/h5,9H,6-7H2,1-4H3
InChIKeyOJLKBFQASRMKEE-UHFFFAOYSA-N
XLogP2.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.19
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 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-(3,9-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl)acetate
CID 927451
2,3,8,8-Tetramethyl-7,9-dioxaspiro[4.5]dec-3-ene-6,10-dione
CID 101226977
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
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5,5-bis(2-methyl-2-propenyl)-
CID 538939
5-(4-Tert-butylcyclohexen-1-yl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione
CID 10732563
3,3,7,7,11-Pentamethyl-2,4-dioxaspiro[5.5]undec-9-ene-1,5-quinone
CID 24977269
2,2-dimethyl-5-[(E)-non-2-enyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione
CID 141165841
2-Ethyl-2-(6-ethyl-1-propan-2-ylcyclohexa-2,4-dien-1-yl)-1,3-dioxane-4,6-dione
CID 166060741

Frequently Asked Questions

What is the IUPAC name of 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
The IUPAC name of 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione (CID 101157409) is 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione.
What is the SMILES notation for 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
The canonical SMILES for 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione is CC1=CCC(C)C2(C1)C(=O)OC(C)(C)OC2=O.
What is the InChIKey of 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
The InChIKey is OJLKBFQASRMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8-5-6-9(2)13(7-8)10(14)16-12(3,4)17-11(13)15/h5,9H,6-7H2,1-4H3.
What are the key properties of 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione?
3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione has a molecular weight of 238.28 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,11-tetramethyl-2,4-dioxaspiro[5.5]undec-8-ene-1,5-dione is sourced from PubChem (CID 101157409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).