ethyl (3R)-3-hydroxyhex-5-enoate

C8H14O3 — CID 14110567

IUPACethyl (3R)-3-hydroxyhex-5-enoate
SMILESC=CC[C@@H](O)CC(=O)OCC
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3,7,9H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyHVZFRJPJLVEOHC-SSDOTTSWSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds5

About ethyl (3R)-3-hydroxyhex-5-enoate

ethyl (3R)-3-hydroxyhex-5-enoate (PubChem CID 14110567) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxyhex-5-enoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxyhex-5-enoate
PubChem CID14110567
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl (3R)-3-hydroxyhex-5-enoate
SMILESC=CC[C@@H](O)CC(=O)OCC
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3,7,9H,1,4-6H2,2H3/t7-/m1/s1
InChIKeyHVZFRJPJLVEOHC-SSDOTTSWSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.88
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 ethyl (3R)-3-hydroxyhex-5-enoate?
The IUPAC name of ethyl (3R)-3-hydroxyhex-5-enoate (CID 14110567) is ethyl (3R)-3-hydroxyhex-5-enoate.
What is the SMILES notation for ethyl (3R)-3-hydroxyhex-5-enoate?
The canonical SMILES for ethyl (3R)-3-hydroxyhex-5-enoate is C=CC[C@@H](O)CC(=O)OCC.
What is the InChIKey of ethyl (3R)-3-hydroxyhex-5-enoate?
The InChIKey is HVZFRJPJLVEOHC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3,7,9H,1,4-6H2,2H3/t7-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxyhex-5-enoate?
ethyl (3R)-3-hydroxyhex-5-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxyhex-5-enoate is sourced from PubChem (CID 14110567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).