2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate

C16H22O3 — CID 141034957

IUPAC2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCC(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H22O3/c1-2-16(17)19-12-18-11-15(13-7-3-4-8-13)14-9-5-6-10-14/h2,7,9,15H,1,3-6,8,10-12H2
InChIKeyHJRPMSSNEXDGOM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.53
Rot. Bonds7

About 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate

2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate (PubChem CID 141034957) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate.

Molecular Properties

Compound Name2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate
PubChem CID141034957
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate
SMILESC=CC(=O)OCOCC(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H22O3/c1-2-16(17)19-12-18-11-15(13-7-3-4-8-13)14-9-5-6-10-14/h2,7,9,15H,1,3-6,8,10-12H2
InChIKeyHJRPMSSNEXDGOM-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', '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
2-hydroxyethoxymethyl prop-2-enoate
CID 140530940
4,4-di(cyclopenten-1-yloxy)butyl prop-2-enoate
CID 18458437
2,2-diphenylethyl prop-2-enoate;prop-2-enoxymethyl prop-2-enoate
CID 175934339
2-[1,2-di(cyclopenten-1-yloxy)ethoxy]ethyl prop-2-enoate
CID 57030834
2,2,2-tris[[(1E)-cyclodecen-1-yl]oxy]ethyl prop-2-enoate
CID 141263807
prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate
CID 66692212
2,2-di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174380078
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
2-methylprop-2-enoxymethyl prop-2-enoate
CID 140613206
butyl prop-2-enoate;cyclobutene-1-carboxylic acid
CID 87104912

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate?
The IUPAC name of 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate (CID 141034957) is 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate.
What is the SMILES notation for 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate?
The canonical SMILES for 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate is C=CC(=O)OCOCC(C1=CCCC1)C1=CCCC1.
What is the InChIKey of 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate?
The InChIKey is HJRPMSSNEXDGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-16(17)19-12-18-11-15(13-7-3-4-8-13)14-9-5-6-10-14/h2,7,9,15H,1,3-6,8,10-12H2.
What are the key properties of 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate?
2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate has a molecular weight of 262.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenten-1-yl)ethoxymethyl prop-2-enoate is sourced from PubChem (CID 141034957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).