14-bromotetradec-2-enoic acid

C14H25BrO2 — CID 54270933

IUPAC14-bromotetradec-2-enoic acid
SMILESO=C(O)C=CCCCCCCCCCCCBr
InChIInChI=1S/C14H25BrO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h10,12H,1-9,11,13H2,(H,16,17)
InChIKeyRKBJPHQGBUPCBM-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.92
Rot. Bonds12

About 14-bromotetradec-2-enoic acid

14-bromotetradec-2-enoic acid (PubChem CID 54270933) has the molecular formula C14H25BrO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 14-bromotetradec-2-enoic acid.

Molecular Properties

Compound Name14-bromotetradec-2-enoic acid
PubChem CID54270933
Molecular FormulaC14H25BrO2
Molecular Weight305.26 g/mol
Exact Mass304.10
IUPAC Name14-bromotetradec-2-enoic acid
SMILESO=C(O)C=CCCCCCCCCCCCBr
InChIInChI=1S/C14H25BrO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h10,12H,1-9,11,13H2,(H,16,17)
InChIKeyRKBJPHQGBUPCBM-UHFFFAOYSA-N
XLogP4.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-bromopent-2-enoic acid
CID 54205255
(E)-5-bromopent-2-enoic acid
CID 19912723
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(Z)-undec-2-enedioic acid
CID 59435158
undec-2-enoic acid
CID 519180
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
(33Z)-octatetraconta-2,33-dienedioic acid
CID 87703838
(E)-14-aminotetradec-2-enoic acid;hydrochloride
CID 25028644
(E)-16-bromohexadec-9-enoic acid
CID 5312946
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245

Frequently Asked Questions

What is the IUPAC name of 14-bromotetradec-2-enoic acid?
The IUPAC name of 14-bromotetradec-2-enoic acid (CID 54270933) is 14-bromotetradec-2-enoic acid.
What is the SMILES notation for 14-bromotetradec-2-enoic acid?
The canonical SMILES for 14-bromotetradec-2-enoic acid is O=C(O)C=CCCCCCCCCCCCBr.
What is the InChIKey of 14-bromotetradec-2-enoic acid?
The InChIKey is RKBJPHQGBUPCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h10,12H,1-9,11,13H2,(H,16,17).
What are the key properties of 14-bromotetradec-2-enoic acid?
14-bromotetradec-2-enoic acid has a molecular weight of 305.26 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromotetradec-2-enoic acid is sourced from PubChem (CID 54270933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).