methyl 5-chloro-2-hydroxypentanoate

C6H11ClO3 — CID 55302399

IUPACmethyl 5-chloro-2-hydroxypentanoate
SMILESCOC(=O)C(O)CCCCl
InChIInChI=1S/C6H11ClO3/c1-10-6(9)5(8)3-2-4-7/h5,8H,2-4H2,1H3
InChIKeyQWPUPPAXYDZQOR-UHFFFAOYSA-N
MW166.60 g/mol
LogP0.54
Rot. Bonds4

About methyl 5-chloro-2-hydroxypentanoate

methyl 5-chloro-2-hydroxypentanoate (PubChem CID 55302399) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is methyl 5-chloro-2-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-hydroxypentanoate
PubChem CID55302399
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Namemethyl 5-chloro-2-hydroxypentanoate
SMILESCOC(=O)C(O)CCCCl
InChIInChI=1S/C6H11ClO3/c1-10-6(9)5(8)3-2-4-7/h5,8H,2-4H2,1H3
InChIKeyQWPUPPAXYDZQOR-UHFFFAOYSA-N
XLogP0.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-hydroxyheptanoate
CID 71444954
dimethyl 2-hydroxyhexanedioate
CID 13448463
methyl 2-hydroxypentanoate
CID 543619
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
methyl 4-bromo-2-hydroxybutanoate
CID 19019154
(4R)-4-hydroxy-5-methoxy-5-oxopentanoic acid
CID 92975324
methyl 2-hydroxynon-7-enoate
CID 174951133
methyl 2,8-dichlorooctanoate
CID 175529720
5-chloropentyl methyl carbonate
CID 103970733
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
methyl (2S,4Z,6Z)-8-chloro-2-hydroxyocta-4,6-dienoate
CID 121367179
methanol;methyl 2,3-dihydroxypropanoate
CID 174804143

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-hydroxypentanoate?
The IUPAC name of methyl 5-chloro-2-hydroxypentanoate (CID 55302399) is methyl 5-chloro-2-hydroxypentanoate.
What is the SMILES notation for methyl 5-chloro-2-hydroxypentanoate?
The canonical SMILES for methyl 5-chloro-2-hydroxypentanoate is COC(=O)C(O)CCCCl.
What is the InChIKey of methyl 5-chloro-2-hydroxypentanoate?
The InChIKey is QWPUPPAXYDZQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-10-6(9)5(8)3-2-4-7/h5,8H,2-4H2,1H3.
What are the key properties of methyl 5-chloro-2-hydroxypentanoate?
methyl 5-chloro-2-hydroxypentanoate has a molecular weight of 166.60 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-hydroxypentanoate is sourced from PubChem (CID 55302399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).