7,13-dibromo-13-methyltricosane

C24H48Br2 — CID 175049458

IUPAC7,13-dibromo-13-methyltricosane
SMILESCCCCCCCCCCC(C)(Br)CCCCCC(Br)CCCCCC
InChIInChI=1S/C24H48Br2/c1-4-6-8-10-11-12-13-17-21-24(3,26)22-18-14-16-20-23(25)19-15-9-7-5-2/h23H,4-22H2,1-3H3
InChIKeyCPFXUVSIRGDEST-UHFFFAOYSA-N
MW496.46 g/mol
LogP10.36
Rot. Bonds20

About 7,13-dibromo-13-methyltricosane

7,13-dibromo-13-methyltricosane (PubChem CID 175049458) has the molecular formula C24H48Br2 and a molecular weight of 496.46 g/mol. Its IUPAC name is 7,13-dibromo-13-methyltricosane.

Molecular Properties

Compound Name7,13-dibromo-13-methyltricosane
PubChem CID175049458
Molecular FormulaC24H48Br2
Molecular Weight496.46 g/mol
Exact Mass494.21
IUPAC Name7,13-dibromo-13-methyltricosane
SMILESCCCCCCCCCCC(C)(Br)CCCCCC(Br)CCCCCC
InChIInChI=1S/C24H48Br2/c1-4-6-8-10-11-12-13-17-21-24(3,26)22-18-14-16-20-23(25)19-15-9-7-5-2/h23H,4-22H2,1-3H3
InChIKeyCPFXUVSIRGDEST-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.46
LogP ≤ 510.36
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

9-bromo-9-methylhenicosane
CID 155906452
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
1,3-dibromoundecane
CID 122583600
1,6-dibromododecane
CID 18940788
1,3-dibromopentadecane
CID 122583568
1,3-dibromododecane
CID 122583611
9-tert-butylhenicosane
CID 150708915
3-bromoundecan-1-ol
CID 162349376
11-(2-methylheptan-2-yl)docosane
CID 57252514
2-bromo-1-fluorododecane
CID 12938124
1,4-dibromononane
CID 123668754

Frequently Asked Questions

What is the IUPAC name of 7,13-dibromo-13-methyltricosane?
The IUPAC name of 7,13-dibromo-13-methyltricosane (CID 175049458) is 7,13-dibromo-13-methyltricosane.
What is the SMILES notation for 7,13-dibromo-13-methyltricosane?
The canonical SMILES for 7,13-dibromo-13-methyltricosane is CCCCCCCCCCC(C)(Br)CCCCCC(Br)CCCCCC.
What is the InChIKey of 7,13-dibromo-13-methyltricosane?
The InChIKey is CPFXUVSIRGDEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48Br2/c1-4-6-8-10-11-12-13-17-21-24(3,26)22-18-14-16-20-23(25)19-15-9-7-5-2/h23H,4-22H2,1-3H3.
What are the key properties of 7,13-dibromo-13-methyltricosane?
7,13-dibromo-13-methyltricosane has a molecular weight of 496.46 g/mol, XLogP of 10.36, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dibromo-13-methyltricosane is sourced from PubChem (CID 175049458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).