ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

C11H16O3 — CID 14113980

IUPACethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C11H16O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h10H,2,5-6H2,1,3-4H3
InChIKeyUSHKHYTXNCZXBO-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds3

About ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 14113980) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID14113980
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C)O1
InChIInChI=1S/C11H16O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h10H,2,5-6H2,1,3-4H3
InChIKeyUSHKHYTXNCZXBO-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

16-Oxosarcoglaucol Acetate
CID 11384096
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Manshurolide
CID 14527198
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219
(2S,3Z,7S)-3,7-dimethyl-2-[(3-methyl-5-oxo-2H-furan-4-yl)methyl]-2,5,6,7-tetrahydrooxocin-8-one
CID 145954038
Neo-aristolactone
CID 5315198
(2R)-4-butyl-2-methyl-2H-furan-5-one
CID 13548531
3-methyl-2-(3-oxobutyl)-2H-furan-5-one
CID 86168064
(4Z,8Z,11S)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 101032442
Phomanone C
CID 146683520
methyl (5S,6E,14E,15aS)-5-acetyloxy-3,6,14-trimethyl-2-oxo-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-10-carboxylate
CID 163189192

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (CID 14113980) is ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(C)C1CC(C(=O)OCC)=C(C)O1.
What is the InChIKey of ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is USHKHYTXNCZXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5-13-11(12)9-6-10(7(2)3)14-8(9)4/h10H,2,5-6H2,1,3-4H3.
What are the key properties of ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 14113980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).