methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate

C8H14O3 — CID 134904639

IUPACmethyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
SMILESC=C(C)[C@@H](C)C(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-5(2)6(3)7(9)8(10)11-4/h6-7,9H,1H2,2-4H3/t6-,7?/m1/s1
InChIKeyNYZJFOJNIGVVLH-ULUSZKPHSA-N
MW158.20 g/mol
LogP0.73
Rot. Bonds3

About methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate

methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate (PubChem CID 134904639) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate.

Molecular Properties

Compound Namemethyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
PubChem CID134904639
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
SMILESC=C(C)[C@@H](C)C(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-5(2)6(3)7(9)8(10)11-4/h6-7,9H,1H2,2-4H3/t6-,7?/m1/s1
InChIKeyNYZJFOJNIGVVLH-ULUSZKPHSA-N
XLogP0.73
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 ≤ 50.73
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

methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
methyl (2S,3R)-3-ethyl-2,4-dimethylpent-4-enoate
CID 10844880
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
2-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 66039301
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
4-O-tert-butyl 1-O-methyl (3S)-2-hydroxy-3-methylbutanedioate;(3S)-2-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158944220
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2R,3R)-3-acetyloxy-2,3-dihydroxypropanoate
CID 15664036
2-methoxycarbonyl-3-methylbut-3-enoic acid
CID 14024770

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate?
The IUPAC name of methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate (CID 134904639) is methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate.
What is the SMILES notation for methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate?
The canonical SMILES for methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate is C=C(C)[C@@H](C)C(O)C(=O)OC.
What is the InChIKey of methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate?
The InChIKey is NYZJFOJNIGVVLH-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(2)6(3)7(9)8(10)11-4/h6-7,9H,1H2,2-4H3/t6-,7?/m1/s1.
What are the key properties of methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate?
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate is sourced from PubChem (CID 134904639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).