6-bromo-5-propyltridecane

C16H33Br — CID 174956937

IUPAC6-bromo-5-propyltridecane
SMILESCCCCCCCC(Br)C(CCC)CCCC
InChIInChI=1S/C16H33Br/c1-4-7-9-10-11-14-16(17)15(12-6-3)13-8-5-2/h15-16H,4-14H2,1-3H3
InChIKeyWKQABTPXYKMSCS-UHFFFAOYSA-N
MW305.34 g/mol
LogP6.72
Rot. Bonds12

About 6-bromo-5-propyltridecane

6-bromo-5-propyltridecane (PubChem CID 174956937) has the molecular formula C16H33Br and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-bromo-5-propyltridecane.

Molecular Properties

Compound Name6-bromo-5-propyltridecane
PubChem CID174956937
Molecular FormulaC16H33Br
Molecular Weight305.34 g/mol
Exact Mass304.18
IUPAC Name6-bromo-5-propyltridecane
SMILESCCCCCCCC(Br)C(CCC)CCCC
InChIInChI=1S/C16H33Br/c1-4-7-9-10-11-14-16(17)15(12-6-3)13-8-5-2/h15-16H,4-14H2,1-3H3
InChIKeyWKQABTPXYKMSCS-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
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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Related Compounds

10-bromo-9-(bromomethyl)nonadecane
CID 175002797
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607
7,8-dipropyltetradecane
CID 530307
4-bromo-5-propyloctane
CID 83050425
8,9-dibutylhexadecane
CID 530025
6,7-dipropyldodecane
CID 529940
(7R,8S)-8-hexyl-7-[(4R)-octan-4-yl]heptadecane
CID 166447772
7,8-dihexylicosane
CID 21490611
9,10-dioctylhexacosane
CID 21470284
3-bromo-2-methyldecane
CID 63470479
7-ethyl-6-propyltridecane
CID 530352

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-propyltridecane?
The IUPAC name of 6-bromo-5-propyltridecane (CID 174956937) is 6-bromo-5-propyltridecane.
What is the SMILES notation for 6-bromo-5-propyltridecane?
The canonical SMILES for 6-bromo-5-propyltridecane is CCCCCCCC(Br)C(CCC)CCCC.
What is the InChIKey of 6-bromo-5-propyltridecane?
The InChIKey is WKQABTPXYKMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33Br/c1-4-7-9-10-11-14-16(17)15(12-6-3)13-8-5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of 6-bromo-5-propyltridecane?
6-bromo-5-propyltridecane has a molecular weight of 305.34 g/mol, XLogP of 6.72, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-propyltridecane is sourced from PubChem (CID 174956937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).