7-(bromomethyl)pentadecane

C16H33Br — CID 18459580

IUPAC7-(bromomethyl)pentadecane
SMILESCCCCCCCCC(CBr)CCCCCC
InChIInChI=1S/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeyRWEKWRQKAHQYNE-UHFFFAOYSA-N
MW305.34 g/mol
LogP6.72
Rot. Bonds13

About 7-(bromomethyl)pentadecane

7-(bromomethyl)pentadecane (PubChem CID 18459580) has the molecular formula C16H33Br and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-(bromomethyl)pentadecane.

Molecular Properties

Compound Name7-(bromomethyl)pentadecane
PubChem CID18459580
Molecular FormulaC16H33Br
Molecular Weight305.34 g/mol
Exact Mass304.18
IUPAC Name7-(bromomethyl)pentadecane
SMILESCCCCCCCCC(CBr)CCCCCC
InChIInChI=1S/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeyRWEKWRQKAHQYNE-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 56.72
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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Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)pentadecane?
The IUPAC name of 7-(bromomethyl)pentadecane (CID 18459580) is 7-(bromomethyl)pentadecane.
What is the SMILES notation for 7-(bromomethyl)pentadecane?
The canonical SMILES for 7-(bromomethyl)pentadecane is CCCCCCCCC(CBr)CCCCCC.
What is the InChIKey of 7-(bromomethyl)pentadecane?
The InChIKey is RWEKWRQKAHQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3.
What are the key properties of 7-(bromomethyl)pentadecane?
7-(bromomethyl)pentadecane has a molecular weight of 305.34 g/mol, XLogP of 6.72, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)pentadecane is sourced from PubChem (CID 18459580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).