methyl 2-cyclododecyl-2-hydroxyacetate

C15H28O3 — CID 66287971

IUPACmethyl 2-cyclododecyl-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CCCCCCCCCCC1
InChIInChI=1S/C15H28O3/c1-18-15(17)14(16)13-11-9-7-5-3-2-4-6-8-10-12-13/h13-14,16H,2-12H2,1H3
InChIKeyOMTBXYKAPILRJV-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.44
Rot. Bonds2

About methyl 2-cyclododecyl-2-hydroxyacetate

methyl 2-cyclododecyl-2-hydroxyacetate (PubChem CID 66287971) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-cyclododecyl-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-cyclododecyl-2-hydroxyacetate
PubChem CID66287971
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Namemethyl 2-cyclododecyl-2-hydroxyacetate
SMILESCOC(=O)C(O)C1CCCCCCCCCCC1
InChIInChI=1S/C15H28O3/c1-18-15(17)14(16)13-11-9-7-5-3-2-4-6-8-10-12-13/h13-14,16H,2-12H2,1H3
InChIKeyOMTBXYKAPILRJV-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
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methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706
2-cyclopentyl-2-hydroxyethaneperoxoic acid
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methyl 2-bromo-2-cyclodecylacetate
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2-cyclopentyl-3-methoxy-3-oxopropanoic acid
CID 103973424
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
methyl (2R)-2-hydroxy-2-[1-[[(1S,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]acetate
CID 124828899
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
CID 66289634
butyl (2R)-2-cyclopentyl-2-hydroxyacetate
CID 177105637

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclododecyl-2-hydroxyacetate?
The IUPAC name of methyl 2-cyclododecyl-2-hydroxyacetate (CID 66287971) is methyl 2-cyclododecyl-2-hydroxyacetate.
What is the SMILES notation for methyl 2-cyclododecyl-2-hydroxyacetate?
The canonical SMILES for methyl 2-cyclododecyl-2-hydroxyacetate is COC(=O)C(O)C1CCCCCCCCCCC1.
What is the InChIKey of methyl 2-cyclododecyl-2-hydroxyacetate?
The InChIKey is OMTBXYKAPILRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-18-15(17)14(16)13-11-9-7-5-3-2-4-6-8-10-12-13/h13-14,16H,2-12H2,1H3.
What are the key properties of methyl 2-cyclododecyl-2-hydroxyacetate?
methyl 2-cyclododecyl-2-hydroxyacetate has a molecular weight of 256.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclododecyl-2-hydroxyacetate is sourced from PubChem (CID 66287971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).