(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one

C11H16O4 — CID 11769794

IUPAC(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one
SMILESCC1(C)OC[C@H]([C@@H]2C[C@]23CCOC3=O)O1
InChIInChI=1S/C11H16O4/c1-10(2)14-6-8(15-10)7-5-11(7)3-4-13-9(11)12/h7-8H,3-6H2,1-2H3/t7-,8+,11+/m0/s1
InChIKeyZKPIKOFKNXGFIL-VAOFZXAKSA-N
MW212.24 g/mol
LogP1.09
Rot. Bonds1

About (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one

(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one (PubChem CID 11769794) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one
PubChem CID11769794
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one
SMILESCC1(C)OC[C@H]([C@@H]2C[C@]23CCOC3=O)O1
InChIInChI=1S/C11H16O4/c1-10(2)14-6-8(15-10)7-5-11(7)3-4-13-9(11)12/h7-8H,3-6H2,1-2H3/t7-,8+,11+/m0/s1
InChIKeyZKPIKOFKNXGFIL-VAOFZXAKSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(1R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-1-methylcyclopropyl]acetate
CID 166524968
trans-ethyl (1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methylcyclopropane-1-carboxylate
CID 10846964
trans-methyl (1R,3R)-3-[(4R)-5,5-dimethyl-2-sulfanylidene-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 11196204
dimethyl (3S)-3-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylcyclopropane-1,1-dicarboxylate
CID 102316435
Ethyl 2-(1,4-dioxaspiro[4.4]nonan-8-yl)-2-methylpropanoate
CID 135011047
Ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate
CID 135038986
trans-methyl (1R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylcyclopropane-1-carboxylate
CID 14014235
tert-butyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 15308677
tert-butyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate
CID 15308678
2,2-Dimethyl-3-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)butanoic acid
CID 20187902
(1R,cis)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-ylmethyl)-cyclopropanecarboxyic acid
CID 54153659
2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid
CID 54342933

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one?
The IUPAC name of (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one (CID 11769794) is (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one.
What is the SMILES notation for (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one?
The canonical SMILES for (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one is CC1(C)OC[C@H]([C@@H]2C[C@]23CCOC3=O)O1.
What is the InChIKey of (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one?
The InChIKey is ZKPIKOFKNXGFIL-VAOFZXAKSA-N. The full InChI is InChI=1S/C11H16O4/c1-10(2)14-6-8(15-10)7-5-11(7)3-4-13-9(11)12/h7-8H,3-6H2,1-2H3/t7-,8+,11+/m0/s1.
What are the key properties of (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one?
(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one has a molecular weight of 212.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one is sourced from PubChem (CID 11769794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).