methyl 2-(5-hydroxypentoxy)acetate

C8H16O4 — CID 71343712

IUPACmethyl 2-(5-hydroxypentoxy)acetate
SMILESCOC(=O)COCCCCCO
InChIInChI=1S/C8H16O4/c1-11-8(10)7-12-6-4-2-3-5-9/h9H,2-7H2,1H3
InChIKeyYKLYAUAUHCQZQF-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.34
Rot. Bonds7

About methyl 2-(5-hydroxypentoxy)acetate

methyl 2-(5-hydroxypentoxy)acetate (PubChem CID 71343712) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 2-(5-hydroxypentoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(5-hydroxypentoxy)acetate
PubChem CID71343712
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 2-(5-hydroxypentoxy)acetate
SMILESCOC(=O)COCCCCCO
InChIInChI=1S/C8H16O4/c1-11-8(10)7-12-6-4-2-3-5-9/h9H,2-7H2,1H3
InChIKeyYKLYAUAUHCQZQF-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(9-hydroxynonoxy)hexanoate
CID 139893543
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
3-O-(16-hydroxyhexadecyl) 1-O-methyl propanedioate
CID 10546340
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
methyl 2-[2-(11-acetylsulfanylundecoxy)ethoxy]acetate
CID 59422683
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
methyl 14-hydroxytetradecanoate
CID 13245690
methyl 2-(2-chloroethoxy)acetate
CID 15337474
methyl 2-[3-[5-(4-methylphenoxy)pentoxy]propoxy]acetate
CID 168969969

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-hydroxypentoxy)acetate?
The IUPAC name of methyl 2-(5-hydroxypentoxy)acetate (CID 71343712) is methyl 2-(5-hydroxypentoxy)acetate.
What is the SMILES notation for methyl 2-(5-hydroxypentoxy)acetate?
The canonical SMILES for methyl 2-(5-hydroxypentoxy)acetate is COC(=O)COCCCCCO.
What is the InChIKey of methyl 2-(5-hydroxypentoxy)acetate?
The InChIKey is YKLYAUAUHCQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-11-8(10)7-12-6-4-2-3-5-9/h9H,2-7H2,1H3.
What are the key properties of methyl 2-(5-hydroxypentoxy)acetate?
methyl 2-(5-hydroxypentoxy)acetate has a molecular weight of 176.21 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-hydroxypentoxy)acetate is sourced from PubChem (CID 71343712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).