(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one

C9H14O4 — CID 134841699

IUPAC(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one
SMILESCCOC1C[C@]2(COC(=O)C2)CO1
InChIInChI=1S/C9H14O4/c1-2-11-8-4-9(6-13-8)3-7(10)12-5-9/h8H,2-6H2,1H3/t8?,9-/m1/s1
InChIKeyPARBDBXULDRDTB-YGPZHTELSA-N
MW186.21 g/mol
LogP0.70
Rot. Bonds2

About (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one

(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one (PubChem CID 134841699) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one
PubChem CID134841699
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one
SMILESCCOC1C[C@]2(COC(=O)C2)CO1
InChIInChI=1S/C9H14O4/c1-2-11-8-4-9(6-13-8)3-7(10)12-5-9/h8H,2-6H2,1H3/t8?,9-/m1/s1
InChIKeyPARBDBXULDRDTB-YGPZHTELSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one 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

(4S,5S)-5-(Pivaloyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11219495
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
CID 123405200
ethyl 2-[(2S,3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
CID 11579798
Ethyl 2-[2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
CID 12167703
ethyl 2-[(3R)-2-(2,2-dimethylpropoxy)oxolan-3-yl]-2-fluoroacetate
CID 102182167
(4S,5S)-5-(Acetyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11401953
3a-Methyl-2,3,4,6a-tetrahydrofuro[2,3-b]furan-5-one
CID 13541559
Methyl 2-(2,5-dimethoxy-tetrahydrofuran-3-yl)acetate
CID 18380381
3-Furanacetic acid,2-ethoxytetrahydro-,ethyl ester
CID 54071886
(4S,5S)-4-(1,3-dioxolan-2-yl)-5-(methoxymethyl)oxolan-2-one
CID 60018521
[3-(1,3-Dioxolan-2-yl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 69778915
1-Acetyloxypropyl 2-(oxolan-3-yl)acetate
CID 122538274

Frequently Asked Questions

What is the IUPAC name of (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one (CID 134841699) is (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one is CCOC1C[C@]2(COC(=O)C2)CO1.
What is the InChIKey of (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one?
The InChIKey is PARBDBXULDRDTB-YGPZHTELSA-N. The full InChI is InChI=1S/C9H14O4/c1-2-11-8-4-9(6-13-8)3-7(10)12-5-9/h8H,2-6H2,1H3/t8?,9-/m1/s1.
What are the key properties of (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one?
(5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one has a molecular weight of 186.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-ethoxy-2,7-dioxaspiro[4.4]nonan-3-one is sourced from PubChem (CID 134841699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).