[(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate

C14H20O6 — CID 10541020

IUPAC[(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC[C@@H](COC(C)=O)C12CCC(=O)O2
InChIInChI=1S/C14H20O6/c1-9(15)18-7-11-3-4-12(8-19-10(2)16)14(11)6-5-13(17)20-14/h11-12H,3-8H2,1-2H3/t11-,12+,14?
InChIKeyOPMJLXXTRVPNKN-ONXXMXGDSA-N
MW284.31 g/mol
LogP1.21
Rot. Bonds4

About [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate

[(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate (PubChem CID 10541020) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate.

Molecular Properties

Compound Name[(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate
PubChem CID10541020
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC[C@@H](COC(C)=O)C12CCC(=O)O2
InChIInChI=1S/C14H20O6/c1-9(15)18-7-11-3-4-12(8-19-10(2)16)14(11)6-5-13(17)20-14/h11-12H,3-8H2,1-2H3/t11-,12+,14?
InChIKeyOPMJLXXTRVPNKN-ONXXMXGDSA-N
XLogP1.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate 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-[(5S,9R)-2-oxo-1-oxaspiro[4.4]nonan-9-yl]propanoate
CID 135068730
Ethyl 2-(3,3,6-trimethyl-1-oxo-3a,4,5,6a-tetrahydrocyclopenta[c]furan-6-yl)acetate
CID 284595
(5S,9S)-9-pentyl-1-oxaspiro[4.4]nonan-2-one
CID 10846137
[1-(2,4-Diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] acetate
CID 20608156
propyl 2-[(1R,2R,3S)-2-(acetyloxymethyl)-3-methylcyclopentyl]acetate
CID 57320081
3-O-tert-butyl 1-O-methyl (1S,3S,4R)-4-ethylcyclopentane-1,3-dicarboxylate
CID 58557338
3-Tert-butyl 1-methyl 4-ethylcyclopentane-1,3-dicarboxylate
CID 58557941
trans-3-O-tert-butyl 1-O-methyl (1R,4S)-4-ethylcyclopentane-1,3-dicarboxylate
CID 58557991
3-O-tert-butyl 1-O-methyl (1R,3R,4S)-4-ethylcyclopentane-1,3-dicarboxylate
CID 58558050
(9R)-9-methyl-1-oxaspiro[4.4]nonan-2-one
CID 59643824
5-(2,4-Diethylcyclopentyl)oxolan-2-one
CID 59893654
4-[2-(2,4-Diethylcyclopentyl)ethyl]oxolan-2-one
CID 59893655

Frequently Asked Questions

What is the IUPAC name of [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate?
The IUPAC name of [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate (CID 10541020) is [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate.
What is the SMILES notation for [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate?
The canonical SMILES for [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate is CC(=O)OC[C@H]1CC[C@@H](COC(C)=O)C12CCC(=O)O2.
What is the InChIKey of [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate?
The InChIKey is OPMJLXXTRVPNKN-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H20O6/c1-9(15)18-7-11-3-4-12(8-19-10(2)16)14(11)6-5-13(17)20-14/h11-12H,3-8H2,1-2H3/t11-,12+,14?.
What are the key properties of [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate?
[(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate has a molecular weight of 284.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,9R)-9-(acetyloxymethyl)-2-oxo-1-oxaspiro[4.4]nonan-6-yl]methyl acetate is sourced from PubChem (CID 10541020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).