1,3-dibromopentadecane

C15H30Br2 — CID 122583568

IUPAC1,3-dibromopentadecane
SMILESCCCCCCCCCCCCC(Br)CCBr
InChIInChI=1S/C15H30Br2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h15H,2-14H2,1H3
InChIKeyCYKCGDNMCJXBAI-UHFFFAOYSA-N
MW370.21 g/mol
LogP6.85
Rot. Bonds13

About 1,3-dibromopentadecane

1,3-dibromopentadecane (PubChem CID 122583568) has the molecular formula C15H30Br2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 1,3-dibromopentadecane.

Molecular Properties

Compound Name1,3-dibromopentadecane
PubChem CID122583568
Molecular FormulaC15H30Br2
Molecular Weight370.21 g/mol
Exact Mass368.07
IUPAC Name1,3-dibromopentadecane
SMILESCCCCCCCCCCCCC(Br)CCBr
InChIInChI=1S/C15H30Br2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h15H,2-14H2,1H3
InChIKeyCYKCGDNMCJXBAI-UHFFFAOYSA-N
XLogP6.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.21
LogP ≤ 56.85
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

1,3-dibromoundecane
CID 122583600
1,3-dibromododecane
CID 122583611
1,6-dibromododecane
CID 18940788
(3R)-1,3-dibromoheptane
CID 129379896
6-bromopentadecane
CID 86639780
12-bromodotriacontane
CID 122613066
1,4-dibromononane
CID 123668754
3-bromoundecan-1-ol
CID 162349376
2-bromo-1-fluorododecane
CID 12938124
15-(2-bromoethyl)triacontane
CID 121349535
14-(2-bromoethyl)octacosane
CID 121349528
(3R)-1-bromo-3-methyltridecane
CID 154310087

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromopentadecane?
The IUPAC name of 1,3-dibromopentadecane (CID 122583568) is 1,3-dibromopentadecane.
What is the SMILES notation for 1,3-dibromopentadecane?
The canonical SMILES for 1,3-dibromopentadecane is CCCCCCCCCCCCC(Br)CCBr.
What is the InChIKey of 1,3-dibromopentadecane?
The InChIKey is CYKCGDNMCJXBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30Br2/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16/h15H,2-14H2,1H3.
What are the key properties of 1,3-dibromopentadecane?
1,3-dibromopentadecane has a molecular weight of 370.21 g/mol, XLogP of 6.85, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromopentadecane is sourced from PubChem (CID 122583568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).