bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate

C18H26O8 — CID 14880668

IUPACbis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C18H26O8/c1-13(2)17(21)25-11-9-23-15(19)7-5-6-8-16(20)24-10-12-26-18(22)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyLDCRDNMXNWMORR-UHFFFAOYSA-N
MW370.40 g/mol
LogP1.87
Rot. Bonds13

About bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate

bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate (PubChem CID 14880668) has the molecular formula C18H26O8 and a molecular weight of 370.40 g/mol. Its IUPAC name is bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate.

Molecular Properties

Compound Namebis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate
PubChem CID14880668
Molecular FormulaC18H26O8
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Namebis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate
SMILESC=C(C)C(=O)OCCOC(=O)CCCCC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C18H26O8/c1-13(2)17(21)25-11-9-23-15(19)7-5-6-8-16(20)24-10-12-26-18(22)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyLDCRDNMXNWMORR-UHFFFAOYSA-N
XLogP1.87
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate?
The IUPAC name of bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate (CID 14880668) is bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate.
What is the SMILES notation for bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate?
The canonical SMILES for bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate is C=C(C)C(=O)OCCOC(=O)CCCCC(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate?
The InChIKey is LDCRDNMXNWMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O8/c1-13(2)17(21)25-11-9-23-15(19)7-5-6-8-16(20)24-10-12-26-18(22)14(3)4/h1,3,5-12H2,2,4H3.
What are the key properties of bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate?
bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate has a molecular weight of 370.40 g/mol, XLogP of 1.87, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methylprop-2-enoyloxy)ethyl] hexanedioate is sourced from PubChem (CID 14880668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).