10-bromodecyl 2-methylprop-2-enoate

C14H25BrO2 — CID 15153821

IUPAC10-bromodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCBr
InChIInChI=1S/C14H25BrO2/c1-13(2)14(16)17-12-10-8-6-4-3-5-7-9-11-15/h1,3-12H2,2H3
InChIKeyLKEGXBGJJVWAEW-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.62
Rot. Bonds11

About 10-bromodecyl 2-methylprop-2-enoate

10-bromodecyl 2-methylprop-2-enoate (PubChem CID 15153821) has the molecular formula C14H25BrO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 10-bromodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name10-bromodecyl 2-methylprop-2-enoate
PubChem CID15153821
Molecular FormulaC14H25BrO2
Molecular Weight305.26 g/mol
Exact Mass304.10
IUPAC Name10-bromodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCBr
InChIInChI=1S/C14H25BrO2/c1-13(2)14(16)17-12-10-8-6-4-3-5-7-9-11-15/h1,3-12H2,2H3
InChIKeyLKEGXBGJJVWAEW-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of 10-bromodecyl 2-methylprop-2-enoate?
The IUPAC name of 10-bromodecyl 2-methylprop-2-enoate (CID 15153821) is 10-bromodecyl 2-methylprop-2-enoate.
What is the SMILES notation for 10-bromodecyl 2-methylprop-2-enoate?
The canonical SMILES for 10-bromodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCBr.
What is the InChIKey of 10-bromodecyl 2-methylprop-2-enoate?
The InChIKey is LKEGXBGJJVWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO2/c1-13(2)14(16)17-12-10-8-6-4-3-5-7-9-11-15/h1,3-12H2,2H3.
What are the key properties of 10-bromodecyl 2-methylprop-2-enoate?
10-bromodecyl 2-methylprop-2-enoate has a molecular weight of 305.26 g/mol, XLogP of 4.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 15153821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).