bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate

C19H28O8 — CID 11090288

IUPACbis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC(C)OC(=O)[C@H](C)OC(=O)C1=C(C(=O)O[C@@H](C)C(=O)OC(C)C)C1(C)C
InChIInChI=1S/C19H28O8/c1-9(2)24-15(20)11(5)26-17(22)13-14(19(13,7)8)18(23)27-12(6)16(21)25-10(3)4/h9-12H,1-8H3/t11-,12-/m0/s1
InChIKeyPGPYCSZYPSCNJW-RYUDHWBXSA-N
MW384.43 g/mol
LogP2.09
Rot. Bonds8

About bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate

bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 11090288) has the molecular formula C19H28O8 and a molecular weight of 384.43 g/mol. Its IUPAC name is bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID11090288
Molecular FormulaC19H28O8
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Namebis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCC(C)OC(=O)[C@H](C)OC(=O)C1=C(C(=O)O[C@@H](C)C(=O)OC(C)C)C1(C)C
InChIInChI=1S/C19H28O8/c1-9(2)24-15(20)11(5)26-17(22)13-14(19(13,7)8)18(23)27-12(6)16(21)25-10(3)4/h9-12H,1-8H3/t11-,12-/m0/s1
InChIKeyPGPYCSZYPSCNJW-RYUDHWBXSA-N
XLogP2.09
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate 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

2-O-(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-O-(2-methoxy-2-oxoethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10893240
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
Bis(2-methoxy-2-oxoethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11044776
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10893638
Bis(3-methoxy-2,2-dimethyl-3-oxopropyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10915984
bis[(2S)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10959217
2-O-[(2S)-1-methoxy-1-oxopropan-2-yl] 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10967090
2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10998750
bis[(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11004767
bis[(2S)-1-methoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11012872

Frequently Asked Questions

What is the IUPAC name of bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 11090288) is bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate is CC(C)OC(=O)[C@H](C)OC(=O)C1=C(C(=O)O[C@@H](C)C(=O)OC(C)C)C1(C)C.
What is the InChIKey of bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is PGPYCSZYPSCNJW-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H28O8/c1-9(2)24-15(20)11(5)26-17(22)13-14(19(13,7)8)18(23)27-12(6)16(21)25-10(3)4/h9-12H,1-8H3/t11-,12-/m0/s1.
What are the key properties of bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 384.43 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 11090288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).