3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione

C15H22O3 — CID 134225162

IUPAC3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione
SMILESCC1CC2CC(C1)CC(C)(C1CC(=O)OC1=O)C2
InChIInChI=1S/C15H22O3/c1-9-3-10-5-11(4-9)8-15(2,7-10)12-6-13(16)18-14(12)17/h9-12H,3-8H2,1-2H3
InChIKeyPQAMQCJAOWAJND-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.93
Rot. Bonds1

About 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione

3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione (PubChem CID 134225162) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione
PubChem CID134225162
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione
SMILESCC1CC2CC(C1)CC(C)(C1CC(=O)OC1=O)C2
InChIInChI=1S/C15H22O3/c1-9-3-10-5-11(4-9)8-15(2,7-10)12-6-13(16)18-14(12)17/h9-12H,3-8H2,1-2H3
InChIKeyPQAMQCJAOWAJND-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione with MolForge

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Related Compounds

3-Cyclohexyl-3-methyloxolane-2,5-dione
CID 13328987
Methoxy carbonyl bicyclo[3.3.1]nonane
CID 10726123
8,8-Dimethyl-2-oxaspiro[4.5]decane-1,3-dione
CID 293130
Bicyclohexyl-1,1'-dicarboxylic anhydride
CID 596236
3-(1-Adamantyl)oxolane-2,5-dione
CID 11009885
3-(3,5-Dimethyl-1-adamantyl)oxolane-2,5-dione
CID 85583123
3-Cyclohexyl-4-methyloxolane-2,5-dione
CID 12656160
3-Oxatetracyclo[7.2.2.25,8.01,5]pentadecane-2,4-dione
CID 286129
1-Methyl-7-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 11770467
8-Methyl-2-oxaspiro[4.5]decane-1,3-dione
CID 11830062
8,11-Dimethyl-4-oxatricyclo[7.2.2.02,6]tridecane-3,5-dione
CID 20661450
3-(2,4,6,8-Tetramethylnonan-4-yl)oxolane-2,5-dione
CID 20693613

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione?
The IUPAC name of 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione (CID 134225162) is 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione?
The canonical SMILES for 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione is CC1CC2CC(C1)CC(C)(C1CC(=O)OC1=O)C2.
What is the InChIKey of 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione?
The InChIKey is PQAMQCJAOWAJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-3-10-5-11(4-9)8-15(2,7-10)12-6-13(16)18-14(12)17/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione?
3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)oxolane-2,5-dione is sourced from PubChem (CID 134225162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).