2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate

C15H20O6 — CID 66621385

IUPAC2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate
SMILESO=C(OCC(COC(=O)C1CC1)OC(=O)C1CC1)C1CC1
InChIInChI=1S/C15H20O6/c16-13(9-1-2-9)19-7-12(21-15(18)11-5-6-11)8-20-14(17)10-3-4-10/h9-12H,1-8H2
InChIKeyITCMYWISWANDLT-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.21
Rot. Bonds8

About 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate

2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate (PubChem CID 66621385) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate
PubChem CID66621385
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate
SMILESO=C(OCC(COC(=O)C1CC1)OC(=O)C1CC1)C1CC1
InChIInChI=1S/C15H20O6/c16-13(9-1-2-9)19-7-12(21-15(18)11-5-6-11)8-20-14(17)10-3-4-10/h9-12H,1-8H2
InChIKeyITCMYWISWANDLT-UHFFFAOYSA-N
XLogP1.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate?
The IUPAC name of 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate (CID 66621385) is 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate.
What is the SMILES notation for 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate?
The canonical SMILES for 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate is O=C(OCC(COC(=O)C1CC1)OC(=O)C1CC1)C1CC1.
What is the InChIKey of 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate?
The InChIKey is ITCMYWISWANDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c16-13(9-1-2-9)19-7-12(21-15(18)11-5-6-11)8-20-14(17)10-3-4-10/h9-12H,1-8H2.
What are the key properties of 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate?
2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate has a molecular weight of 296.32 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(cyclopropanecarbonyloxy)propyl cyclopropanecarboxylate is sourced from PubChem (CID 66621385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).