2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate

C18H26O5 — CID 142748718

IUPAC2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C18H26O5/c1-2-17(19)21-14-13-20-12-11-18(22-15-7-3-4-8-15)23-16-9-5-6-10-16/h2,7,9,18H,1,3-6,8,10-14H2
InChIKeyNGISFMUTOAVENO-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.62
Rot. Bonds11

About 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate

2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate (PubChem CID 142748718) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
PubChem CID142748718
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C18H26O5/c1-2-17(19)21-14-13-20-12-11-18(22-15-7-3-4-8-15)23-16-9-5-6-10-16/h2,7,9,18H,1,3-6,8,10-14H2
InChIKeyNGISFMUTOAVENO-UHFFFAOYSA-N
XLogP3.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
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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Related Compounds

4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
CID 18458437
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
CID 57030834
4,4-di(cyclopenten-1-yloxy)-2-methylidenebutanoic acid;prop-2-enoic acid
CID 157373430
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate
CID 141034957
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
4,4-di(cyclopenten-1-yloxy)but-1-en-1-ol
CID 66645575
2,2-di(cyclopenten-1-yloxy)ethyl butanoate
CID 22715421
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate (CID 142748718) is 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate?
The InChIKey is NGISFMUTOAVENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-2-17(19)21-14-13-20-12-11-18(22-15-7-3-4-8-15)23-16-9-5-6-10-16/h2,7,9,18H,1,3-6,8,10-14H2.
What are the key properties of 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate?
2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate has a molecular weight of 322.40 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-di(cyclopenten-1-yloxy)propoxy]ethyl prop-2-enoate is sourced from PubChem (CID 142748718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).