methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate

C8H14O3 — CID 177459187

IUPACmethyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
SMILESC=C(C)C[C@@](C)(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-6(2)5-8(3,10)7(9)11-4/h10H,1,5H2,2-4H3/t8-/m1/s1
InChIKeyLJCAIEPQNSOAGB-MRVPVSSYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds3

About methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate

methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate (PubChem CID 177459187) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
PubChem CID177459187
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
SMILESC=C(C)C[C@@](C)(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-6(2)5-8(3,10)7(9)11-4/h10H,1,5H2,2-4H3/t8-/m1/s1
InChIKeyLJCAIEPQNSOAGB-MRVPVSSYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

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CID 89306235
dimethyl 2-ethyl-2-(2-methylprop-2-enyl)propanedioate
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methyl (2R)-2-hydroxy-4-methyl-2-(trifluoromethyl)pent-4-enoate
CID 26985843
methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
CID 102353733
dimethyl 2-(2-methylprop-2-enyl)-2-pent-2-ynylpropanedioate
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methyl 2-hydroxy-2-methylheptanoate
CID 80558778
methyl 2-acetyl-2-hydroxy-3-oxobutanoate
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CID 62212880
2-hydroxy-2,5-dimethylhex-5-en-3-one
CID 103847177
methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
1-methoxyethane-1,1-diol;propan-2-one
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate?
The IUPAC name of methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate (CID 177459187) is methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate?
The canonical SMILES for methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate is C=C(C)C[C@@](C)(O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate?
The InChIKey is LJCAIEPQNSOAGB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)5-8(3,10)7(9)11-4/h10H,1,5H2,2-4H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate?
methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate is sourced from PubChem (CID 177459187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).