11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine

C17H34BrNO2 — CID 135146365

IUPAC11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine
SMILESC=CC(=O)OCCCCCCCCCCCBr.CN(C)C
InChIInChI=1S/C14H25BrO2.C3H9N/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15;1-4(2)3/h2H,1,3-13H2;1-3H3
InChIKeyONIRKLAUSAEYKR-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.80
Rot. Bonds12

About 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine

11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine (PubChem CID 135146365) has the molecular formula C17H34BrNO2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine.

Molecular Properties

Compound Name11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine
PubChem CID135146365
Molecular FormulaC17H34BrNO2
Molecular Weight364.37 g/mol
Exact Mass363.18
IUPAC Name11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine
SMILESC=CC(=O)OCCCCCCCCCCCBr.CN(C)C
InChIInChI=1S/C14H25BrO2.C3H9N/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15;1-4(2)3/h2H,1,3-13H2;1-3H3
InChIKeyONIRKLAUSAEYKR-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
decyl prop-2-enoate
CID 162172023
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
10-hydroxydecyl prop-2-enoate
CID 14715958

Frequently Asked Questions

What is the IUPAC name of 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine?
The IUPAC name of 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine (CID 135146365) is 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine.
What is the SMILES notation for 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine?
The canonical SMILES for 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine is C=CC(=O)OCCCCCCCCCCCBr.CN(C)C.
What is the InChIKey of 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine?
The InChIKey is ONIRKLAUSAEYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO2.C3H9N/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15;1-4(2)3/h2H,1,3-13H2;1-3H3.
What are the key properties of 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine?
11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine has a molecular weight of 364.37 g/mol, XLogP of 4.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromoundecyl prop-2-enoate;N,N-dimethylmethanamine is sourced from PubChem (CID 135146365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).