(3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid

C10H16O4 — CID 170989004

IUPAC(3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid
SMILESCCC/C=C\C(=O)O[C@H](C)CC(=O)O
InChIInChI=1S/C10H16O4/c1-3-4-5-6-10(13)14-8(2)7-9(11)12/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b6-5-/t8-/m1/s1
InChIKeyFGIIAGZKRIXMDV-RPSMYOMKSA-N
MW200.23 g/mol
LogP1.75
Rot. Bonds6

About (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid

(3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid (PubChem CID 170989004) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid
PubChem CID170989004
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid
SMILESCCC/C=C\C(=O)O[C@H](C)CC(=O)O
InChIInChI=1S/C10H16O4/c1-3-4-5-6-10(13)14-8(2)7-9(11)12/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b6-5-/t8-/m1/s1
InChIKeyFGIIAGZKRIXMDV-RPSMYOMKSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((r)-5-Oxo-2,5-dihydro-furan-2-yl)-acetic acid methyl ester
CID 13848058
Npc61718
CID 10783458
2,5-Dihydro-5-oxo-2-furanacetic acid
CID 542
Macrosphelide E
CID 9974635
CID 10449039
CID 10449039
(S)-5-oxo-2,5-dihydro-2-furylacetate
CID 20846022
5-Oxo-2,5-dihydro-2-furylacetate
CID 23615314
Macrosphelide A
CID 139588335
(S)-5-oxo-2,5-dihydro-2-furylacetic acid
CID 10931527
(4R,7E,10S,13E,15R,16S)-15-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
CID 10336485
2-Furanacetic acid, 2,5-dihydro-4-methyl-5-oxo-
CID 6454820
14-deoxymacrosphelide C
CID 9972658

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid?
The IUPAC name of (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid (CID 170989004) is (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid.
What is the SMILES notation for (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid?
The canonical SMILES for (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid is CCC/C=C\C(=O)O[C@H](C)CC(=O)O.
What is the InChIKey of (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid?
The InChIKey is FGIIAGZKRIXMDV-RPSMYOMKSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-4-5-6-10(13)14-8(2)7-9(11)12/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)/b6-5-/t8-/m1/s1.
What are the key properties of (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid?
(3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(Z)-hex-2-enoyl]oxybutanoic acid is sourced from PubChem (CID 170989004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).