benzyl (2R)-2-hydroxypent-4-enoate

C12H14O3 — CID 11356210

IUPACbenzyl (2R)-2-hydroxypent-4-enoate
SMILESC=CC[C@@H](O)C(=O)OCc1ccccc1
InChIInChI=1S/C12H14O3/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10/h2-5,7-8,11,13H,1,6,9H2/t11-/m1/s1
InChIKeyGHDXEJPQTDEKGZ-LLVKDONJSA-N
MW206.24 g/mol
LogP1.67
Rot. Bonds5

About benzyl (2R)-2-hydroxypent-4-enoate

benzyl (2R)-2-hydroxypent-4-enoate (PubChem CID 11356210) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is benzyl (2R)-2-hydroxypent-4-enoate.

Molecular Properties

Compound Namebenzyl (2R)-2-hydroxypent-4-enoate
PubChem CID11356210
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namebenzyl (2R)-2-hydroxypent-4-enoate
SMILESC=CC[C@@H](O)C(=O)OCc1ccccc1
InChIInChI=1S/C12H14O3/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10/h2-5,7-8,11,13H,1,6,9H2/t11-/m1/s1
InChIKeyGHDXEJPQTDEKGZ-LLVKDONJSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.67
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)-2-phenylmethoxycarbonylpent-4-enoic acid
CID 66844802
benzyl (2S)-2-aminopent-4-enoate;hydrochloride
CID 67440277
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl (2S)-4-amino-2-hydroxy-4-oxobutanoate
CID 10922133
benzyl (2R)-4-amino-2-hydroxy-4-oxobutanoate
CID 11770072
benzyl (2R)-2-hydroxy-4,5-dioxopentanoate
CID 163839906
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
1-O-benzyl 4-O-[(2S)-4-[(2S)-4-[(2S)-1,4-dioxo-1-phenylmethoxy-4-prop-2-enoxybutan-2-yl]oxy-1,4-dioxo-1-phenylmethoxybutan-2-yl]oxy-1,4-dioxo-1-phenylmethoxybutan-2-yl] (2S)-2-hydroxybutanedioate
CID 10748237
3-hydroxy-4-oxo-4-phenylmethoxybutanoate
CID 19803271
benzyl (3R)-3-(hydroxymethyl)hex-5-enoate
CID 58474144
benzyl 2-amino-2-hydroxyacetate
CID 123342440
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-hydroxypent-4-enoate?
The IUPAC name of benzyl (2R)-2-hydroxypent-4-enoate (CID 11356210) is benzyl (2R)-2-hydroxypent-4-enoate.
What is the SMILES notation for benzyl (2R)-2-hydroxypent-4-enoate?
The canonical SMILES for benzyl (2R)-2-hydroxypent-4-enoate is C=CC[C@@H](O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-hydroxypent-4-enoate?
The InChIKey is GHDXEJPQTDEKGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10/h2-5,7-8,11,13H,1,6,9H2/t11-/m1/s1.
What are the key properties of benzyl (2R)-2-hydroxypent-4-enoate?
benzyl (2R)-2-hydroxypent-4-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-hydroxypent-4-enoate is sourced from PubChem (CID 11356210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).