(2-hydroxyacetyl)oxymethyl pentanoate

C8H14O5 — CID 59942583

IUPAC(2-hydroxyacetyl)oxymethyl pentanoate
SMILESCCCCC(=O)OCOC(=O)CO
InChIInChI=1S/C8H14O5/c1-2-3-4-7(10)12-6-13-8(11)5-9/h9H,2-6H2,1H3
InChIKeyOBTBQMMCBXJWAA-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.21
Rot. Bonds6

About (2-hydroxyacetyl)oxymethyl pentanoate

(2-hydroxyacetyl)oxymethyl pentanoate (PubChem CID 59942583) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2-hydroxyacetyl)oxymethyl pentanoate.

Molecular Properties

Compound Name(2-hydroxyacetyl)oxymethyl pentanoate
PubChem CID59942583
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2-hydroxyacetyl)oxymethyl pentanoate
SMILESCCCCC(=O)OCOC(=O)CO
InChIInChI=1S/C8H14O5/c1-2-3-4-7(10)12-6-13-8(11)5-9/h9H,2-6H2,1H3
InChIKeyOBTBQMMCBXJWAA-UHFFFAOYSA-N
XLogP0.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hydrazine;methyl pentanoate
CID 88709772
(2-amino-2-oxoethyl) pentanoate
CID 142660312
bismuthane;propyl pentanoate
CID 174550006
(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane
CID 161332645
hexacosyl 2-hydroxyacetate
CID 156789960
hydroxymethyl tetratriacontanoate
CID 141312892
nonyl pentanoate
CID 568602
magnesium;butyl 2-hydroxyacetate;hydride
CID 173215691
hydroxymethyl nonanoate
CID 118275970
bis(propanoyloxymethyl) heptanedioate
CID 90973893
[3-hexanoyloxy-2-(2-hydroxyacetyl)oxypropyl] hexanoate
CID 87464373
CID 87119570
CID 87119570

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyacetyl)oxymethyl pentanoate?
The IUPAC name of (2-hydroxyacetyl)oxymethyl pentanoate (CID 59942583) is (2-hydroxyacetyl)oxymethyl pentanoate.
What is the SMILES notation for (2-hydroxyacetyl)oxymethyl pentanoate?
The canonical SMILES for (2-hydroxyacetyl)oxymethyl pentanoate is CCCCC(=O)OCOC(=O)CO.
What is the InChIKey of (2-hydroxyacetyl)oxymethyl pentanoate?
The InChIKey is OBTBQMMCBXJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-2-3-4-7(10)12-6-13-8(11)5-9/h9H,2-6H2,1H3.
What are the key properties of (2-hydroxyacetyl)oxymethyl pentanoate?
(2-hydroxyacetyl)oxymethyl pentanoate has a molecular weight of 190.19 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyacetyl)oxymethyl pentanoate is sourced from PubChem (CID 59942583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).