ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

C19H34O4 — CID 69242468

IUPACethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCCCCCCCC1C(C(=O)OCC)=C(C)OC1OC
InChIInChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-13-14-16-17(18(20)22-6-2)15(3)23-19(16)21-4/h16,19H,5-14H2,1-4H3
InChIKeyNADIAPIEEZKGJK-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.97
Rot. Bonds12

About ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate

ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 69242468) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID69242468
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Nameethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCCCCCCCCCC1C(C(=O)OCC)=C(C)OC1OC
InChIInChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-13-14-16-17(18(20)22-6-2)15(3)23-19(16)21-4/h16,19H,5-14H2,1-4H3
InChIKeyNADIAPIEEZKGJK-UHFFFAOYSA-N
XLogP4.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate 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

[7-Methyl-10-(6-methylhept-5-en-2-yl)-3-oxo-1,5,8,9,10,10a-hexahydrocyclonona[c]furan-1-yl] acetate
CID 74000046
[(1S,3aE,6E,10S,10aS)-7-methyl-10-[(2R)-6-methylhept-5-en-2-yl]-3-oxo-1,5,8,9,10,10a-hexahydrocyclonona[c]furan-1-yl] acetate
CID 162970327
1-Methoxy-7-methyl-10-(6-methylhept-5-en-2-yl)-1,5,8,9,10,10a-hexahydrocyclonona[c]furan-3-one
CID 163053796
(1S,3aE,6E,10S,10aS)-1-methoxy-7-methyl-10-[(2R)-6-methylhept-5-en-2-yl]-1,5,8,9,10,10a-hexahydrocyclonona[c]furan-3-one
CID 163053797
methyl (2R,4R)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506617
methyl (2R,4S)-2-butoxy-6-methyl-4-pentyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 102506618
ethyl (13Z)-2,3,3a,4,5,6,7,8,9,10,11,12-dodecahydrocyclododeca[b]furan-13-carboxylate
CID 11708941
ethyl 5,6',6'-trimethyl-4'-oxospiro[3H-furan-2,2'-5,7-dihydro-3H-1-benzofuran]-4-carboxylate
CID 15175274
dimethyl (8R,9R)-9-methoxy-10-oxabicyclo[6.3.2]trideca-1(11),12-diene-12,13-dicarboxylate
CID 21609211
[(1R,3aE,6E,10R,10aR)-7-methyl-10-(6-methylhept-5-en-2-yl)-3-oxo-1,5,8,9,10,10a-hexahydrocyclonona[c]furan-1-yl] acetate
CID 162970328
ethyl 2-(5-oxo-2H-furan-3-yl)tetradecanoate
CID 18949915
ethyl 2-(2-hydroxy-5-oxo-2H-furan-3-yl)tetradecanoate
CID 18949921

Frequently Asked Questions

What is the IUPAC name of ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 69242468) is ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is CCCCCCCCCCC1C(C(=O)OCC)=C(C)OC1OC.
What is the InChIKey of ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is NADIAPIEEZKGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-13-14-16-17(18(20)22-6-2)15(3)23-19(16)21-4/h16,19H,5-14H2,1-4H3.
What are the key properties of ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 4.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-decyl-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 69242468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).