16-bromohexadecan-1-ol

C16H33BrO — CID 2757013

IUPAC16-bromohexadecan-1-ol
SMILESOCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C16H33BrO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h18H,1-16H2
InChIKeyGOSQZSJMSMTIFI-UHFFFAOYSA-N
MW321.34 g/mol
LogP5.84
Rot. Bonds15

About 16-bromohexadecan-1-ol

16-bromohexadecan-1-ol (PubChem CID 2757013) has the molecular formula C16H33BrO and a molecular weight of 321.34 g/mol. Its IUPAC name is 16-bromohexadecan-1-ol.

Molecular Properties

Compound Name16-bromohexadecan-1-ol
PubChem CID2757013
Molecular FormulaC16H33BrO
Molecular Weight321.34 g/mol
Exact Mass320.17
IUPAC Name16-bromohexadecan-1-ol
SMILESOCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C16H33BrO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h18H,1-16H2
InChIKeyGOSQZSJMSMTIFI-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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(Z)-21-bromohenicos-11-en-1-ol
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dodecane-1,12-diol;tridecane-1,13-diol
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hexane-1,6-diol;octane-1,8-diol
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trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
1,40-dibromotetracontane
CID 11614635
tricosane-1,23-diol
CID 25144332
pentadecane-1,15-diol
CID 518994
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
9-bromononan-1-ol;oxane
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Frequently Asked Questions

What is the IUPAC name of 16-bromohexadecan-1-ol?
The IUPAC name of 16-bromohexadecan-1-ol (CID 2757013) is 16-bromohexadecan-1-ol.
What is the SMILES notation for 16-bromohexadecan-1-ol?
The canonical SMILES for 16-bromohexadecan-1-ol is OCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 16-bromohexadecan-1-ol?
The InChIKey is GOSQZSJMSMTIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BrO/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h18H,1-16H2.
What are the key properties of 16-bromohexadecan-1-ol?
16-bromohexadecan-1-ol has a molecular weight of 321.34 g/mol, XLogP of 5.84, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-bromohexadecan-1-ol is sourced from PubChem (CID 2757013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).