2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate

C11H16O8 — CID 11173432

IUPAC2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)OC)OC(=O)OC
InChIInChI=1S/C11H16O8/c1-7(2)9(12)17-5-8(19-11(14)16-4)6-18-10(13)15-3/h8H,1,5-6H2,2-4H3
InChIKeyWHILZFPHLXQPKI-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.04
Rot. Bonds6

About 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate

2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate (PubChem CID 11173432) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate
PubChem CID11173432
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Name2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(COC(=O)OC)OC(=O)OC
InChIInChI=1S/C11H16O8/c1-7(2)9(12)17-5-8(19-11(14)16-4)6-18-10(13)15-3/h8H,1,5-6H2,2-4H3
InChIKeyWHILZFPHLXQPKI-UHFFFAOYSA-N
XLogP1.04
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate?
The IUPAC name of 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate (CID 11173432) is 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(COC(=O)OC)OC(=O)OC.
What is the InChIKey of 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate?
The InChIKey is WHILZFPHLXQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O8/c1-7(2)9(12)17-5-8(19-11(14)16-4)6-18-10(13)15-3/h8H,1,5-6H2,2-4H3.
What are the key properties of 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate?
2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate has a molecular weight of 276.24 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxycarbonyloxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 11173432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).