2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate

C18H26O5 — CID 21330289

IUPAC2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C18H26O5/c1-14(2)18(19)21-12-11-20-13-17(22-15-7-3-4-8-15)23-16-9-5-6-10-16/h7,9,17H,1,3-6,8,10-13H2,2H3
InChIKeyGUWAICYKWOLGLZ-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.62
Rot. Bonds10

About 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate

2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate (PubChem CID 21330289) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate
PubChem CID21330289
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C18H26O5/c1-14(2)18(19)21-12-11-20-13-17(22-15-7-3-4-8-15)23-16-9-5-6-10-16/h7,9,17H,1,3-6,8,10-13H2,2H3
InChIKeyGUWAICYKWOLGLZ-UHFFFAOYSA-N
XLogP3.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate (CID 21330289) is 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is GUWAICYKWOLGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-14(2)18(19)21-12-11-20-13-17(22-15-7-3-4-8-15)23-16-9-5-6-10-16/h7,9,17H,1,3-6,8,10-13H2,2H3.
What are the key properties of 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate?
2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21330289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).