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

C11H16O3 — CID 174744606

IUPACethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCOCC)C1=CCCC1
InChIInChI=1S/C11H16O3/c1-3-13-8-14-11(12)9(2)10-6-4-5-7-10/h6H,2-5,7-8H2,1H3
InChIKeyGXHIYWWUSIRAAX-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds5

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

ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate (PubChem CID 174744606) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate
PubChem CID174744606
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate
SMILESC=C(C(=O)OCOCC)C1=CCCC1
InChIInChI=1S/C11H16O3/c1-3-13-8-14-11(12)9(2)10-6-4-5-7-10/h6H,2-5,7-8H2,1H3
InChIKeyGXHIYWWUSIRAAX-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate?
The IUPAC name of ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate (CID 174744606) is ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate.
What is the SMILES notation for ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate?
The canonical SMILES for ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate is C=C(C(=O)OCOCC)C1=CCCC1.
What is the InChIKey of ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate?
The InChIKey is GXHIYWWUSIRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-13-8-14-11(12)9(2)10-6-4-5-7-10/h6H,2-5,7-8H2,1H3.
What are the key properties of ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate?
ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate has a molecular weight of 196.25 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate is sourced from PubChem (CID 174744606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).