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

C10H18O3 — CID 93481404

IUPACethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate
SMILESC=C[C@H](O)[C@@H](CCC)C(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-7-8(9(11)5-2)10(12)13-6-3/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+/m1/s1
InChIKeyPMLDEXGHONSIST-BDAKNGLRSA-N
MW186.25 g/mol
LogP1.51
Rot. Bonds6

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

ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate (PubChem CID 93481404) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate
PubChem CID93481404
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate
SMILESC=C[C@H](O)[C@@H](CCC)C(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-7-8(9(11)5-2)10(12)13-6-3/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+/m1/s1
InChIKeyPMLDEXGHONSIST-BDAKNGLRSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
CID 135047760
methyl (2S)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
CID 10330067
methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
CID 10012658
ethyl (2R,3R)-3-hydroxy-2-methylpent-4-enoate;propan-2-yl (2R,3R)-3-hydroxy-2-methylpent-4-enoate
CID 158770655
ethyl 2-[ethoxy(hydroxy)methyl]pentanoate
CID 123662696
ethyl 3,5-dihydroxy-2-propylpentanoate
CID 89428861
ethyl 2-(1-hydroxyethyl)hex-5-enoate
CID 76532032
ethyl 2,3-dimethylpent-4-enoate
CID 13254527
ethyl 2-(diethoxymethyl)pentanoate
CID 24973425
ethyl 2-(1-hydroxyethyl)hept-6-enoate
CID 10726713
ethyl hex-1-en-3-yl carbonate
CID 11073871
3-ethoxycarbonylpent-4-enoic acid
CID 174635447

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate?
The IUPAC name of ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate (CID 93481404) is ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate.
What is the SMILES notation for ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate?
The canonical SMILES for ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate is C=C[C@H](O)[C@@H](CCC)C(=O)OCC.
What is the InChIKey of ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate?
The InChIKey is PMLDEXGHONSIST-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-7-8(9(11)5-2)10(12)13-6-3/h5,8-9,11H,2,4,6-7H2,1,3H3/t8-,9+/m1/s1.
What are the key properties of ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate?
ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-hydroxy-2-propylpent-4-enoate is sourced from PubChem (CID 93481404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).