ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate

C11H20O3 — CID 58725303

IUPACethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate
SMILESC/C=C\C(C(=O)OCC)C(O)C(C)C
InChIInChI=1S/C11H20O3/c1-5-7-9(10(12)8(3)4)11(13)14-6-2/h5,7-10,12H,6H2,1-4H3/b7-5-
InChIKeyBPEYGVZJRZSRRE-ALCCZGGFSA-N
MW200.28 g/mol
LogP1.76
Rot. Bonds5

About ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate

ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate (PubChem CID 58725303) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate
PubChem CID58725303
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate
SMILESC/C=C\C(C(=O)OCC)C(O)C(C)C
InChIInChI=1S/C11H20O3/c1-5-7-9(10(12)8(3)4)11(13)14-6-2/h5,7-10,12H,6H2,1-4H3/b7-5-
InChIKeyBPEYGVZJRZSRRE-ALCCZGGFSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.76
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

3R-hydroxy-5Z-dodecenoic acid
CID 5312807
Ethyl (3R,5Z)-3-hydroxy-5-octenoate
CID 101998819
3Z-Hexenyl 3R-hydroxybutanoate
CID 56936021
Kobifuranone A
CID 10845550
(3R,4S)-3-[(1S)-1-hydroxyethyl]-4-[(1E,3E)-penta-1,3-dienyl]oxolan-2-one
CID 163026514
4-Pentenoic acid, 2-[(1S)-1-hydroxyethyl]-, ethyl ester, (2S)-
CID 10241258
(E)-3,10-Dihydroxy-4,9-dimethyldodec-6-enedioic acid
CID 129008872
(Z)-3-hexenyl 3-hydroxybutanoate
CID 91748130
Ethyl 2-(1-hydroxy-2,2-dimethylpropyl)-5,6,6-trimethylhepta-3,4-dienoate
CID 10989694
t-Butyl (3r)-3-hydroxyl-5-hexenoate
CID 11171417
ethyl (3R)-3-hydroxyhex-5-enoate
CID 14110567
3-Hydroxy-5,8-tetradecadienoic acid
CID 22150843

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate?
The IUPAC name of ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate (CID 58725303) is ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate.
What is the SMILES notation for ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate?
The canonical SMILES for ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate is C/C=C\C(C(=O)OCC)C(O)C(C)C.
What is the InChIKey of ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate?
The InChIKey is BPEYGVZJRZSRRE-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-7-9(10(12)8(3)4)11(13)14-6-2/h5,7-10,12H,6H2,1-4H3/b7-5-.
What are the key properties of ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate?
ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate has a molecular weight of 200.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(1-hydroxy-2-methylpropyl)pent-3-enoate is sourced from PubChem (CID 58725303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).