cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate

C17H22O3 — CID 66662996

IUPACcyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=CC1=CCCC1)C(=O)OC1=CCCC1
InChIInChI=1S/C17H22O3/c1-2-11-19-13-15(12-14-7-3-4-8-14)17(18)20-16-9-5-6-10-16/h2,7,9,12H,1,3-6,8,10-11,13H2
InChIKeyNWTNOGDJQVGYCJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.84
Rot. Bonds7

About cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate

cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 66662996) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namecyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID66662996
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Namecyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=CC1=CCCC1)C(=O)OC1=CCCC1
InChIInChI=1S/C17H22O3/c1-2-11-19-13-15(12-14-7-3-4-8-14)17(18)20-16-9-5-6-10-16/h2,7,9,12H,1,3-6,8,10-11,13H2
InChIKeyNWTNOGDJQVGYCJ-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate (CID 66662996) is cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=CC1=CCCC1)C(=O)OC1=CCCC1.
What is the InChIKey of cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is NWTNOGDJQVGYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-2-11-19-13-15(12-14-7-3-4-8-14)17(18)20-16-9-5-6-10-16/h2,7,9,12H,1,3-6,8,10-11,13H2.
What are the key properties of cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate?
cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 274.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 66662996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).