ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate

C10H16O4 — CID 87595443

IUPACethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate
SMILESC=CCO[C@H](C(=O)OCC)[C@H](O)C=C
InChIInChI=1S/C10H16O4/c1-4-7-14-9(8(11)5-2)10(12)13-6-3/h4-5,8-9,11H,1-2,6-7H2,3H3/t8-,9+/m1/s1
InChIKeyBJDIMIMNDNNCEE-BDAKNGLRSA-N
MW200.23 g/mol
LogP0.67
Rot. Bonds7

About ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate

ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate (PubChem CID 87595443) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate
PubChem CID87595443
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate
SMILESC=CCO[C@H](C(=O)OCC)[C@H](O)C=C
InChIInChI=1S/C10H16O4/c1-4-7-14-9(8(11)5-2)10(12)13-6-3/h4-5,8-9,11H,1-2,6-7H2,3H3/t8-,9+/m1/s1
InChIKeyBJDIMIMNDNNCEE-BDAKNGLRSA-N
XLogP0.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate?
The IUPAC name of ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate (CID 87595443) is ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate.
What is the SMILES notation for ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate?
The canonical SMILES for ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate is C=CCO[C@H](C(=O)OCC)[C@H](O)C=C.
What is the InChIKey of ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate?
The InChIKey is BJDIMIMNDNNCEE-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-7-14-9(8(11)5-2)10(12)13-6-3/h4-5,8-9,11H,1-2,6-7H2,3H3/t8-,9+/m1/s1.
What are the key properties of ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate?
ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate has a molecular weight of 200.23 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-3-hydroxy-2-prop-2-enoxypent-4-enoate is sourced from PubChem (CID 87595443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).