ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate

C16H28O3 — CID 10967513

IUPACethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate
SMILESCCOC(=O)CC1OC(CC)(CC)C(CC)=C1CC
InChIInChI=1S/C16H28O3/c1-6-12-13(7-2)16(8-3,9-4)19-14(12)11-15(17)18-10-5/h14H,6-11H2,1-5H3
InChIKeyHBTSALOUZFFDCB-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.01
Rot. Bonds7

About ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate

ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate (PubChem CID 10967513) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate
PubChem CID10967513
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Nameethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate
SMILESCCOC(=O)CC1OC(CC)(CC)C(CC)=C1CC
InChIInChI=1S/C16H28O3/c1-6-12-13(7-2)16(8-3,9-4)19-14(12)11-15(17)18-10-5/h14H,6-11H2,1-5H3
InChIKeyHBTSALOUZFFDCB-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.01
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

Ethyl 2-(3,4-diethyl-1-oxaspiro[4.5]dec-3-en-2-yl)acetate
CID 10956898
[(1R)-3-methylcyclopent-2-en-1-yl] (Z,4R)-4-methylundec-6-enoate
CID 10978795
methyl 2-[(5R)-3,5-diethyl-5-[(E,2R)-2-ethylhex-3-enyl]-2H-furan-2-yl]acetate
CID 11587615
Ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane
CID 91389858
4,5,5-Trimethyl-3-(4-propoxybutyl)furan-2-one
CID 141845017
dimethyl (1R,4S)-1-(4-methylpent-3-enyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 10637375
methyl (3R,4R)-4-ethoxy-2,3-dimethylcyclobutene-1-carboxylate
CID 10655088
Cyclohexyl 4-(bromomethyl)-2-methyl-5-oxo-2-propylfuran-3-carboxylate
CID 13578484
Dimethyl 1-(4-methylpent-3-enyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 15410477
Ethyl 2-(3,4-diethyl-1-oxaspiro[4.4]non-3-en-2-yl)acetate
CID 15864404
4-butyl-3-(2-methylpropanoyl)-2H-furan-5-one
CID 86036959
ethyl 2-[(2R)-3-propan-2-ylideneoxolan-2-yl]acetate
CID 101136335

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate?
The IUPAC name of ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate (CID 10967513) is ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate is CCOC(=O)CC1OC(CC)(CC)C(CC)=C1CC.
What is the InChIKey of ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate?
The InChIKey is HBTSALOUZFFDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-6-12-13(7-2)16(8-3,9-4)19-14(12)11-15(17)18-10-5/h14H,6-11H2,1-5H3.
What are the key properties of ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate?
ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate has a molecular weight of 268.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4,5,5-tetraethyl-2H-furan-2-yl)acetate is sourced from PubChem (CID 10967513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).