furan-2-yl 2,4-dimethylpentanoate

C11H16O3 — CID 11998473

IUPACfuran-2-yl 2,4-dimethylpentanoate
SMILESCC(C)CC(C)C(=O)Oc1ccco1
InChIInChI=1S/C11H16O3/c1-8(2)7-9(3)11(12)14-10-5-4-6-13-10/h4-6,8-9H,7H2,1-3H3
InChIKeyHTRIHUWHTTWYHT-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.87
Rot. Bonds4

About furan-2-yl 2,4-dimethylpentanoate

furan-2-yl 2,4-dimethylpentanoate (PubChem CID 11998473) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is furan-2-yl 2,4-dimethylpentanoate.

Molecular Properties

Compound Namefuran-2-yl 2,4-dimethylpentanoate
PubChem CID11998473
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namefuran-2-yl 2,4-dimethylpentanoate
SMILESCC(C)CC(C)C(=O)Oc1ccco1
InChIInChI=1S/C11H16O3/c1-8(2)7-9(3)11(12)14-10-5-4-6-13-10/h4-6,8-9H,7H2,1-3H3
InChIKeyHTRIHUWHTTWYHT-UHFFFAOYSA-N
XLogP2.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium furan-2-yl carbonate
CID 174835445
furan-2-yl 3-amino-3-oxopropanoate
CID 141082647
furan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 90119639
methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60696494
methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate
CID 53436799
furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate
CID 58854776
furan-2-yl 2-phenylbut-3-ynoate
CID 102070869
calcium;furan-2-yl hydrogen carbonate;hydride;hydrate
CID 173498538
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692657
benzyl (2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylpentanoate
CID 78906118
heptyl 2-(furan-2-carbonylamino)-4-methylpentanoate
CID 91727365

Frequently Asked Questions

What is the IUPAC name of furan-2-yl 2,4-dimethylpentanoate?
The IUPAC name of furan-2-yl 2,4-dimethylpentanoate (CID 11998473) is furan-2-yl 2,4-dimethylpentanoate.
What is the SMILES notation for furan-2-yl 2,4-dimethylpentanoate?
The canonical SMILES for furan-2-yl 2,4-dimethylpentanoate is CC(C)CC(C)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl 2,4-dimethylpentanoate?
The InChIKey is HTRIHUWHTTWYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(2)7-9(3)11(12)14-10-5-4-6-13-10/h4-6,8-9H,7H2,1-3H3.
What are the key properties of furan-2-yl 2,4-dimethylpentanoate?
furan-2-yl 2,4-dimethylpentanoate has a molecular weight of 196.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl 2,4-dimethylpentanoate is sourced from PubChem (CID 11998473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).