ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate

C19H34O4 — CID 91117937

IUPACethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate
SMILESCCCCCCCCCCC1(OC)COC(C)=C1C(=O)OCC
InChIInChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-13-14-19(21-4)15-23-16(3)17(19)18(20)22-6-2/h5-15H2,1-4H3
InChIKeyYDEOPRGXDRWIEP-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.77
Rot. Bonds12

About ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate

ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate (PubChem CID 91117937) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate
PubChem CID91117937
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Nameethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate
SMILESCCCCCCCCCCC1(OC)COC(C)=C1C(=O)OCC
InChIInChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-13-14-19(21-4)15-23-16(3)17(19)18(20)22-6-2/h5-15H2,1-4H3
InChIKeyYDEOPRGXDRWIEP-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate?
The IUPAC name of ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate (CID 91117937) is ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate.
What is the SMILES notation for ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate?
The canonical SMILES for ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate is CCCCCCCCCCC1(OC)COC(C)=C1C(=O)OCC.
What is the InChIKey of ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate?
The InChIKey is YDEOPRGXDRWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-5-7-8-9-10-11-12-13-14-19(21-4)15-23-16(3)17(19)18(20)22-6-2/h5-15H2,1-4H3.
What are the key properties of ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate?
ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 4.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-decyl-3-methoxy-5-methyl-2H-furan-4-carboxylate is sourced from PubChem (CID 91117937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).