4-[(2S)-but-3-en-2-yl]-2H-furan-5-one

C8H10O2 — CID 102309705

IUPAC4-[(2S)-but-3-en-2-yl]-2H-furan-5-one
SMILESC=C[C@H](C)C1=CCOC1=O
InChIInChI=1S/C8H10O2/c1-3-6(2)7-4-5-10-8(7)9/h3-4,6H,1,5H2,2H3/t6-/m0/s1
InChIKeyXVTFBBSUHRBMGN-LURJTMIESA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds2

About 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one

4-[(2S)-but-3-en-2-yl]-2H-furan-5-one (PubChem CID 102309705) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[(2S)-but-3-en-2-yl]-2H-furan-5-one
PubChem CID102309705
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-[(2S)-but-3-en-2-yl]-2H-furan-5-one
SMILESC=C[C@H](C)C1=CCOC1=O
InChIInChI=1S/C8H10O2/c1-3-6(2)7-4-5-10-8(7)9/h3-4,6H,1,5H2,2H3/t6-/m0/s1
InChIKeyXVTFBBSUHRBMGN-LURJTMIESA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Neryl isovalerate
CID 6429039
Geranyl 2-methylbutyrate
CID 6437648
Geranyl isovalerate
CID 5362830
2-Hexenyl 2-methylbutyrate, (2E)-
CID 5352459
2-Hexenyl isovalerate (2E)-
CID 5352460
Hept-2-enyl isovalerate
CID 3023610
Ethyl 2-methyl-2-pentenoate, (2E)-
CID 6436311
HEPT-2-enyl isovalerate, (2E)-
CID 6366434
2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
CID 6435040
2-Pentenoic acid, 2,4-dimethyl-, ethyl ester, (2E)-
CID 12550535
Methyl 5-methyl-2-hexenoate
CID 5702852
2(5H)-Furanone, 5-(1-methylethyl)-
CID 558448

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one?
The IUPAC name of 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one (CID 102309705) is 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one.
What is the SMILES notation for 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one?
The canonical SMILES for 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one is C=C[C@H](C)C1=CCOC1=O.
What is the InChIKey of 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one?
The InChIKey is XVTFBBSUHRBMGN-LURJTMIESA-N. The full InChI is InChI=1S/C8H10O2/c1-3-6(2)7-4-5-10-8(7)9/h3-4,6H,1,5H2,2H3/t6-/m0/s1.
What are the key properties of 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one?
4-[(2S)-but-3-en-2-yl]-2H-furan-5-one has a molecular weight of 138.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-but-3-en-2-yl]-2H-furan-5-one is sourced from PubChem (CID 102309705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).