methyl 2-bromo-2-cyclodecylacetate

C13H23BrO2 — CID 89276662

IUPACmethyl 2-bromo-2-cyclodecylacetate
SMILESCOC(=O)C(Br)C1CCCCCCCCC1
InChIInChI=1S/C13H23BrO2/c1-16-13(15)12(14)11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3
InChIKeyMVAMXNAMLSWZGO-UHFFFAOYSA-N
MW291.23 g/mol
LogP4.06
Rot. Bonds2

About methyl 2-bromo-2-cyclodecylacetate

methyl 2-bromo-2-cyclodecylacetate (PubChem CID 89276662) has the molecular formula C13H23BrO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is methyl 2-bromo-2-cyclodecylacetate.

Molecular Properties

Compound Namemethyl 2-bromo-2-cyclodecylacetate
PubChem CID89276662
Molecular FormulaC13H23BrO2
Molecular Weight291.23 g/mol
Exact Mass290.09
IUPAC Namemethyl 2-bromo-2-cyclodecylacetate
SMILESCOC(=O)C(Br)C1CCCCCCCCC1
InChIInChI=1S/C13H23BrO2/c1-16-13(15)12(14)11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3
InChIKeyMVAMXNAMLSWZGO-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl 2-bromo-2-spiro[3.5]nonan-7-ylacetate
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methyl 2-cyclododecyl-2-hydroxyacetate
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2-cyclopentyl-3-methoxy-3-oxopropanoic acid
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methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
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methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
CID 164806427
CID 164806427
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
dimethyl 2-cyclopentyl-3-methylidenebutanedioate
CID 118363596

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-2-cyclodecylacetate?
The IUPAC name of methyl 2-bromo-2-cyclodecylacetate (CID 89276662) is methyl 2-bromo-2-cyclodecylacetate.
What is the SMILES notation for methyl 2-bromo-2-cyclodecylacetate?
The canonical SMILES for methyl 2-bromo-2-cyclodecylacetate is COC(=O)C(Br)C1CCCCCCCCC1.
What is the InChIKey of methyl 2-bromo-2-cyclodecylacetate?
The InChIKey is MVAMXNAMLSWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO2/c1-16-13(15)12(14)11-9-7-5-3-2-4-6-8-10-11/h11-12H,2-10H2,1H3.
What are the key properties of methyl 2-bromo-2-cyclodecylacetate?
methyl 2-bromo-2-cyclodecylacetate has a molecular weight of 291.23 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-2-cyclodecylacetate is sourced from PubChem (CID 89276662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).