1-bromohexadecane

C16H33Br — CID 8213

IUPAC1-bromohexadecane
SMILESCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKeyHNTGIJLWHDPAFN-UHFFFAOYSA-N
MW305.34 g/mol
LogP6.86
Rot. Bonds14

About 1-bromohexadecane

1-bromohexadecane (PubChem CID 8213) has the molecular formula C16H33Br and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-bromohexadecane.

Molecular Properties

Compound Name1-bromohexadecane
PubChem CID8213
Molecular FormulaC16H33Br
Molecular Weight305.34 g/mol
Exact Mass304.18
IUPAC Name1-bromohexadecane
SMILESCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKeyHNTGIJLWHDPAFN-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 56.86
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-Bromodecane
CID 8173
1-Bromododecane
CID 8919
1-Bromooctane
CID 8140
1-Bromotridecane
CID 13000
1-Bromopentadecane
CID 12394
1-Bromoundecane
CID 12744
Myristyl bromide
CID 8208
1-Bromononane
CID 12742
1-Bromooctadecane
CID 8218
1-Bromoeicosane
CID 20271
Sec-octyl bromide, (+-)-
CID 79046
1-Bromoheptadecane
CID 19022

Frequently Asked Questions

What is the IUPAC name of 1-bromohexadecane?
The IUPAC name of 1-bromohexadecane (CID 8213) is 1-bromohexadecane.
What is the SMILES notation for 1-bromohexadecane?
The canonical SMILES for 1-bromohexadecane is CCCCCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromohexadecane?
The InChIKey is HNTGIJLWHDPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3.
What are the key properties of 1-bromohexadecane?
1-bromohexadecane has a molecular weight of 305.34 g/mol, XLogP of 6.86, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohexadecane is sourced from PubChem (CID 8213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).