ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate

C10H14O3 — CID 54216682

IUPACethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate
SMILESCCOC(=O)C=CC1=CCCOC1
InChIInChI=1S/C10H14O3/c1-2-13-10(11)6-5-9-4-3-7-12-8-9/h4-6H,2-3,7-8H2,1H3
InChIKeyPZRADIPESBYABA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds3

About ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate

ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate (PubChem CID 54216682) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate
PubChem CID54216682
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate
SMILESCCOC(=O)C=CC1=CCCOC1
InChIInChI=1S/C10H14O3/c1-2-13-10(11)6-5-9-4-3-7-12-8-9/h4-6H,2-3,7-8H2,1H3
InChIKeyPZRADIPESBYABA-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-(2,3-dihydrothiophen-4-yl)prop-2-enoate
CID 10487745
ethyl (E)-3-(2,3-dihydro-1H-pyrrol-4-yl)prop-2-enoate
CID 170181231
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
ethyl (E)-3-(6-oxocyclohexen-1-yl)prop-2-enoate
CID 11830306
ethyl (Z)-3-[(3S,4R)-3,4-difluorocyclopenten-1-yl]prop-2-enoate
CID 70806815
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl 2-(oxolan-3-ylidene)acetate
CID 123997047
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
CID 131872620
ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate
CID 153402357
ethoxycarbonyl (E)-3-[(1E,7E)-6,7-dimethoxycyclonona-1,5,7-trien-1-yl]prop-2-enoate
CID 126747973
ethyl 3-[(1R)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclohex-3-en-1-yl]-2-methylbutanoate
CID 163515833
ethyl 3-(1H-pyrazol-4-yl)prop-2-enoate
CID 123975493

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate (CID 54216682) is ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate is CCOC(=O)C=CC1=CCCOC1.
What is the InChIKey of ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate?
The InChIKey is PZRADIPESBYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-13-10(11)6-5-9-4-3-7-12-8-9/h4-6H,2-3,7-8H2,1H3.
What are the key properties of ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate?
ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,6-dihydro-2H-pyran-5-yl)prop-2-enoate is sourced from PubChem (CID 54216682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).