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

C17H24O5 — CID 57030834

IUPAC2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(COC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O5/c1-2-16(18)19-11-12-20-17(22-15-9-5-6-10-15)13-21-14-7-3-4-8-14/h2,7,9,17H,1,3-6,8,10-13H2
InChIKeyJDANFXYDEDBTNK-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.23
Rot. Bonds10

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

2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate (PubChem CID 57030834) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
PubChem CID57030834
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(COC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C17H24O5/c1-2-16(18)19-11-12-20-17(22-15-9-5-6-10-15)13-21-14-7-3-4-8-14/h2,7,9,17H,1,3-6,8,10-13H2
InChIKeyJDANFXYDEDBTNK-UHFFFAOYSA-N
XLogP3.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.23
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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Related Compounds

2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
CID 142748718
4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
CID 18458437
4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
CID 157373430
2,2-di(cyclopenten-1-yloxy)ethyl butanoate
CID 22715421
2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate
CID 141263807
2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate
CID 141034957
4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol
CID 66645575
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
5,5-di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 159760360
2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
CID 176551024
2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate
CID 150676668
butyl prop-2-enoate;1-chlorocyclobutene
CID 88629604

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate (CID 57030834) is 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(COC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is JDANFXYDEDBTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-2-16(18)19-11-12-20-17(22-15-9-5-6-10-15)13-21-14-7-3-4-8-14/h2,7,9,17H,1,3-6,8,10-13H2.
What are the key properties of 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate?
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 308.37 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 57030834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).