pentadec-14-enoyl bromide

C15H27BrO — CID 155164033

IUPACpentadec-14-enoyl bromide
SMILESC=CCCCCCCCCCCCCC(=O)Br
InChIInChI=1S/C15H27BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2
InChIKeyMGKBGODILZNKNG-UHFFFAOYSA-N
MW303.28 g/mol
LogP5.78
Rot. Bonds13

About pentadec-14-enoyl bromide

pentadec-14-enoyl bromide (PubChem CID 155164033) has the molecular formula C15H27BrO and a molecular weight of 303.28 g/mol. Its IUPAC name is pentadec-14-enoyl bromide.

Molecular Properties

Compound Namepentadec-14-enoyl bromide
PubChem CID155164033
Molecular FormulaC15H27BrO
Molecular Weight303.28 g/mol
Exact Mass302.12
IUPAC Namepentadec-14-enoyl bromide
SMILESC=CCCCCCCCCCCCCC(=O)Br
InChIInChI=1S/C15H27BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2
InChIKeyMGKBGODILZNKNG-UHFFFAOYSA-N
XLogP5.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.28
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tricosa-1,22-dien-12-one
CID 86210796
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enamide
CID 166991988
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
CID 164568303
CID 164568303
undeca-1,10-dien-3-one
CID 152625957
dodec-11-enethioate
CID 22121594
deca-1,9-dien-3-one
CID 21443589
tricos-1-en-11-one
CID 146680996
pentacos-1-en-11-one
CID 21420755

Frequently Asked Questions

What is the IUPAC name of pentadec-14-enoyl bromide?
The IUPAC name of pentadec-14-enoyl bromide (CID 155164033) is pentadec-14-enoyl bromide.
What is the SMILES notation for pentadec-14-enoyl bromide?
The canonical SMILES for pentadec-14-enoyl bromide is C=CCCCCCCCCCCCCC(=O)Br.
What is the InChIKey of pentadec-14-enoyl bromide?
The InChIKey is MGKBGODILZNKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2.
What are the key properties of pentadec-14-enoyl bromide?
pentadec-14-enoyl bromide has a molecular weight of 303.28 g/mol, XLogP of 5.78, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-14-enoyl bromide is sourced from PubChem (CID 155164033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).