dodecan-1-ol;ethyl 2-hydroxyacetate

C16H34O4 — CID 159384320

IUPACdodecan-1-ol;ethyl 2-hydroxyacetate
SMILESCCCCCCCCCCCCO.CCOC(=O)CO
InChIInChI=1S/C12H26O.C4H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-7-4(6)3-5/h13H,2-12H2,1H3;5H,2-3H2,1H3
InChIKeyLLHOSBGIFLUXFX-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.44
Rot. Bonds12

About dodecan-1-ol;ethyl 2-hydroxyacetate

dodecan-1-ol;ethyl 2-hydroxyacetate (PubChem CID 159384320) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is dodecan-1-ol;ethyl 2-hydroxyacetate.

Molecular Properties

Compound Namedodecan-1-ol;ethyl 2-hydroxyacetate
PubChem CID159384320
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Namedodecan-1-ol;ethyl 2-hydroxyacetate
SMILESCCCCCCCCCCCCO.CCOC(=O)CO
InChIInChI=1S/C12H26O.C4H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-7-4(6)3-5/h13H,2-12H2,1H3;5H,2-3H2,1H3
InChIKeyLLHOSBGIFLUXFX-UHFFFAOYSA-N
XLogP3.44
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl octadecanoate;octadecan-1-ol
CID 167711547
ethyl 3-hydroxypropanoate;heptane
CID 18415145
heptan-1-ol;hydrazine
CID 159330416
butan-1-ol;ethyl propanoate
CID 157384460
hexacosyl 2-hydroxyacetate
CID 156789960
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
dodecan-1-ol;methoxyethane
CID 174401185
barium(2+);ethyl 2-hydroxyacetate;hydride
CID 173419911
potassium;ethyl 2-hydroxyacetate;hydride
CID 174939573
CID 87119570
CID 87119570
pentakis(ethyl octanoate);hexane
CID 173194775
CID 87572227
CID 87572227

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;ethyl 2-hydroxyacetate?
The IUPAC name of dodecan-1-ol;ethyl 2-hydroxyacetate (CID 159384320) is dodecan-1-ol;ethyl 2-hydroxyacetate.
What is the SMILES notation for dodecan-1-ol;ethyl 2-hydroxyacetate?
The canonical SMILES for dodecan-1-ol;ethyl 2-hydroxyacetate is CCCCCCCCCCCCO.CCOC(=O)CO.
What is the InChIKey of dodecan-1-ol;ethyl 2-hydroxyacetate?
The InChIKey is LLHOSBGIFLUXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C4H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-7-4(6)3-5/h13H,2-12H2,1H3;5H,2-3H2,1H3.
What are the key properties of dodecan-1-ol;ethyl 2-hydroxyacetate?
dodecan-1-ol;ethyl 2-hydroxyacetate has a molecular weight of 290.44 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;ethyl 2-hydroxyacetate is sourced from PubChem (CID 159384320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).