2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid

C19H26O6 — CID 18935928

IUPAC2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1.C=CC(=O)O
InChIInChI=1S/C16H22O4.C3H4O2/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14;1-2-3(4)5/h7,9,15H,1,3-6,8,10-11H2,2H3;2H,1H2,(H,4,5)
InChIKeyOWBAMUYMIDDURS-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.86
Rot. Bonds8

About 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid

2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid (PubChem CID 18935928) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Name2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid
PubChem CID18935928
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid
SMILESC=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1.C=CC(=O)O
InChIInChI=1S/C16H22O4.C3H4O2/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14;1-2-3(4)5/h7,9,15H,1,3-6,8,10-11H2,2H3;2H,1H2,(H,4,5)
InChIKeyOWBAMUYMIDDURS-UHFFFAOYSA-N
XLogP3.86
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The IUPAC name of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid (CID 18935928) is 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The canonical SMILES for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid is C=C(C)C(=O)OCC(OC1=CCCC1)OC1=CCCC1.C=CC(=O)O.
What is the InChIKey of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid?
The InChIKey is OWBAMUYMIDDURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.C3H4O2/c1-12(2)16(17)18-11-15(19-13-7-3-4-8-13)20-14-9-5-6-10-14;1-2-3(4)5/h7,9,15H,1,3-6,8,10-11H2,2H3;2H,1H2,(H,4,5).
What are the key properties of 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid?
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid has a molecular weight of 350.41 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 18935928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).