6-bromopentadecane

C15H31Br — CID 86639780

IUPAC6-bromopentadecane
SMILESCCCCCCCCCC(Br)CCCCC
InChIInChI=1S/C15H31Br/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h15H,3-14H2,1-2H3
InChIKeyLQLVGPZQQAADMS-UHFFFAOYSA-N
MW291.32 g/mol
LogP6.47
Rot. Bonds12

About 6-bromopentadecane

6-bromopentadecane (PubChem CID 86639780) has the molecular formula C15H31Br and a molecular weight of 291.32 g/mol. Its IUPAC name is 6-bromopentadecane.

Molecular Properties

Compound Name6-bromopentadecane
PubChem CID86639780
Molecular FormulaC15H31Br
Molecular Weight291.32 g/mol
Exact Mass290.16
IUPAC Name6-bromopentadecane
SMILESCCCCCCCCCC(Br)CCCCC
InChIInChI=1S/C15H31Br/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h15H,3-14H2,1-2H3
InChIKeyLQLVGPZQQAADMS-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

12-bromodotriacontane
CID 122613066
1,3-dibromoundecane
CID 122583600
1,6-dibromododecane
CID 18940788
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
3-bromoundecan-1-ol
CID 162349376
2-bromo-1-fluorododecane
CID 12938124
1,4-dibromononane
CID 123668754
3-bromooctadecane;methanamine
CID 172853004
2-bromo-1-fluoroheptane
CID 14433707
7,13-dibromo-13-methyltricosane
CID 175049458
9-bromooctadec-1-ene
CID 167439794

Frequently Asked Questions

What is the IUPAC name of 6-bromopentadecane?
The IUPAC name of 6-bromopentadecane (CID 86639780) is 6-bromopentadecane.
What is the SMILES notation for 6-bromopentadecane?
The canonical SMILES for 6-bromopentadecane is CCCCCCCCCC(Br)CCCCC.
What is the InChIKey of 6-bromopentadecane?
The InChIKey is LQLVGPZQQAADMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Br/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 6-bromopentadecane?
6-bromopentadecane has a molecular weight of 291.32 g/mol, XLogP of 6.47, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopentadecane is sourced from PubChem (CID 86639780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).