2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate

C18H26O5 — CID 57259724

IUPAC2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate
SMILESC=CCC(COC(=O)C(=C)C)OC(CC=C)COC(=O)C(=C)C
InChIInChI=1S/C18H26O5/c1-7-9-15(11-21-17(19)13(3)4)23-16(10-8-2)12-22-18(20)14(5)6/h7-8,15-16H,1-3,5,9-12H2,4,6H3
InChIKeyAMFFNEFNDPCHDI-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.13
Rot. Bonds12

About 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate

2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate (PubChem CID 57259724) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate
PubChem CID57259724
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate
SMILESC=CCC(COC(=O)C(=C)C)OC(CC=C)COC(=O)C(=C)C
InChIInChI=1S/C18H26O5/c1-7-9-15(11-21-17(19)13(3)4)23-16(10-8-2)12-22-18(20)14(5)6/h7-8,15-16H,1-3,5,9-12H2,4,6H3
InChIKeyAMFFNEFNDPCHDI-UHFFFAOYSA-N
XLogP3.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate (CID 57259724) is 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate is C=CCC(COC(=O)C(=C)C)OC(CC=C)COC(=O)C(=C)C.
What is the InChIKey of 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate?
The InChIKey is AMFFNEFNDPCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-7-9-15(11-21-17(19)13(3)4)23-16(10-8-2)12-22-18(20)14(5)6/h7-8,15-16H,1-3,5,9-12H2,4,6H3.
What are the key properties of 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate?
2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 3.13, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 57259724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).