methyl (E,3R)-3-hydroxyhex-4-enoate

C7H12O3 — CID 12740521

IUPACmethyl (E,3R)-3-hydroxyhex-4-enoate
SMILESC/C=C/[C@H](O)CC(=O)OC
InChIInChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-4,6,8H,5H2,1-2H3/b4-3+/t6-/m0/s1
InChIKeyBTXFAUMOGLPUPB-YUDCMIJISA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds3

About methyl (E,3R)-3-hydroxyhex-4-enoate

methyl (E,3R)-3-hydroxyhex-4-enoate (PubChem CID 12740521) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl (E,3R)-3-hydroxyhex-4-enoate.

Molecular Properties

Compound Namemethyl (E,3R)-3-hydroxyhex-4-enoate
PubChem CID12740521
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl (E,3R)-3-hydroxyhex-4-enoate
SMILESC/C=C/[C@H](O)CC(=O)OC
InChIInChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-4,6,8H,5H2,1-2H3/b4-3+/t6-/m0/s1
InChIKeyBTXFAUMOGLPUPB-YUDCMIJISA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E,3R)-3-hydroxyhex-4-enoate?
The IUPAC name of methyl (E,3R)-3-hydroxyhex-4-enoate (CID 12740521) is methyl (E,3R)-3-hydroxyhex-4-enoate.
What is the SMILES notation for methyl (E,3R)-3-hydroxyhex-4-enoate?
The canonical SMILES for methyl (E,3R)-3-hydroxyhex-4-enoate is C/C=C/[C@H](O)CC(=O)OC.
What is the InChIKey of methyl (E,3R)-3-hydroxyhex-4-enoate?
The InChIKey is BTXFAUMOGLPUPB-YUDCMIJISA-N. The full InChI is InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-4,6,8H,5H2,1-2H3/b4-3+/t6-/m0/s1.
What are the key properties of methyl (E,3R)-3-hydroxyhex-4-enoate?
methyl (E,3R)-3-hydroxyhex-4-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3R)-3-hydroxyhex-4-enoate is sourced from PubChem (CID 12740521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).