(2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one

C17H28O2 — CID 169491943

IUPAC(2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one
SMILESCC=C(CC)C1=C(CC(CC)CC)C(=O)[C@H](CC)O1
InChIInChI=1S/C17H28O2/c1-6-12(7-2)11-14-16(18)15(10-5)19-17(14)13(8-3)9-4/h8,12,15H,6-7,9-11H2,1-5H3/t15-/m0/s1
InChIKeyNYQPBYWILGDRPP-HNNXBMFYSA-N
MW264.41 g/mol
LogP4.80
Rot. Bonds7

About (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one

(2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one (PubChem CID 169491943) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one.

Molecular Properties

Compound Name(2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one
PubChem CID169491943
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one
SMILESCC=C(CC)C1=C(CC(CC)CC)C(=O)[C@H](CC)O1
InChIInChI=1S/C17H28O2/c1-6-12(7-2)11-14-16(18)15(10-5)19-17(14)13(8-3)9-4/h8,12,15H,6-7,9-11H2,1-5H3/t15-/m0/s1
InChIKeyNYQPBYWILGDRPP-HNNXBMFYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one?
The IUPAC name of (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one (CID 169491943) is (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one.
What is the SMILES notation for (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one?
The canonical SMILES for (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one is CC=C(CC)C1=C(CC(CC)CC)C(=O)[C@H](CC)O1.
What is the InChIKey of (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one?
The InChIKey is NYQPBYWILGDRPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-12(7-2)11-14-16(18)15(10-5)19-17(14)13(8-3)9-4/h8,12,15H,6-7,9-11H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one?
(2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one has a molecular weight of 264.41 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-(2-ethylbutyl)-5-pent-2-en-3-ylfuran-3-one is sourced from PubChem (CID 169491943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).