3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione

C12H18O3 — CID 10943751

IUPAC3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione
SMILESCC1(C)CC(=O)CC2CCCC2C(=O)O1
InChIInChI=1S/C12H18O3/c1-12(2)7-9(13)6-8-4-3-5-10(8)11(14)15-12/h8,10H,3-7H2,1-2H3
InChIKeyIUFSWFLGTPEFNM-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds

About 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione

3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione (PubChem CID 10943751) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione
PubChem CID10943751
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione
SMILESCC1(C)CC(=O)CC2CCCC2C(=O)O1
InChIInChI=1S/C12H18O3/c1-12(2)7-9(13)6-8-4-3-5-10(8)11(14)15-12/h8,10H,3-7H2,1-2H3
InChIKeyIUFSWFLGTPEFNM-UHFFFAOYSA-N
XLogP2.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione?
The IUPAC name of 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione (CID 10943751) is 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione.
What is the SMILES notation for 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione?
The canonical SMILES for 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione is CC1(C)CC(=O)CC2CCCC2C(=O)O1.
What is the InChIKey of 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione?
The InChIKey is IUFSWFLGTPEFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(2)7-9(13)6-8-4-3-5-10(8)11(14)15-12/h8,10H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione?
3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione has a molecular weight of 210.27 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6,6a,7,8,9,9a-hexahydro-4H-cyclopenta[c]oxocine-1,5-dione is sourced from PubChem (CID 10943751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).