2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate

C15H20O6 — CID 88596408

IUPAC2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate
SMILESC=CC(=O)OCC(COC(=O)C(=C)C(C)C)OC(=O)C=C
InChIInChI=1S/C15H20O6/c1-6-13(16)19-8-12(21-14(17)7-2)9-20-15(18)11(5)10(3)4/h6-7,10,12H,1-2,5,8-9H2,3-4H3
InChIKeyBHKBDRIYSHFUDU-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.57
Rot. Bonds9

About 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate

2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate (PubChem CID 88596408) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate.

Molecular Properties

Compound Name2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate
PubChem CID88596408
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate
SMILESC=CC(=O)OCC(COC(=O)C(=C)C(C)C)OC(=O)C=C
InChIInChI=1S/C15H20O6/c1-6-13(16)19-8-12(21-14(17)7-2)9-20-15(18)11(5)10(3)4/h6-7,10,12H,1-2,5,8-9H2,3-4H3
InChIKeyBHKBDRIYSHFUDU-UHFFFAOYSA-N
XLogP1.57
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate?
The IUPAC name of 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate (CID 88596408) is 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate.
What is the SMILES notation for 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate?
The canonical SMILES for 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate is C=CC(=O)OCC(COC(=O)C(=C)C(C)C)OC(=O)C=C.
What is the InChIKey of 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate?
The InChIKey is BHKBDRIYSHFUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-6-13(16)19-8-12(21-14(17)7-2)9-20-15(18)11(5)10(3)4/h6-7,10,12H,1-2,5,8-9H2,3-4H3.
What are the key properties of 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate?
2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate has a molecular weight of 296.32 g/mol, XLogP of 1.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(prop-2-enoyloxy)propyl 3-methyl-2-methylidenebutanoate is sourced from PubChem (CID 88596408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).