(2R)-1-bromohexadecan-2-ol

C16H33BrO — CID 155935936

IUPAC(2R)-1-bromohexadecan-2-ol
SMILESCCCCCCCCCCCCCC[C@@H](O)CBr
InChIInChI=1S/C16H33BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16,18H,2-15H2,1H3/t16-/m1/s1
InChIKeySDSZSDGXMZYJHU-MRXNPFEDSA-N
MW321.34 g/mol
LogP5.83
Rot. Bonds14

About (2R)-1-bromohexadecan-2-ol

(2R)-1-bromohexadecan-2-ol (PubChem CID 155935936) has the molecular formula C16H33BrO and a molecular weight of 321.34 g/mol. Its IUPAC name is (2R)-1-bromohexadecan-2-ol.

Molecular Properties

Compound Name(2R)-1-bromohexadecan-2-ol
PubChem CID155935936
Molecular FormulaC16H33BrO
Molecular Weight321.34 g/mol
Exact Mass320.17
IUPAC Name(2R)-1-bromohexadecan-2-ol
SMILESCCCCCCCCCCCCCC[C@@H](O)CBr
InChIInChI=1S/C16H33BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16,18H,2-15H2,1H3/t16-/m1/s1
InChIKeySDSZSDGXMZYJHU-MRXNPFEDSA-N
XLogP5.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 55.83
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

(2S)-1-bromooctan-2-ol
CID 102061946
1-bromooctan-2-ol
CID 544202
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
(5S)-octadecan-5-ol
CID 98231191
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromohexadecan-2-ol?
The IUPAC name of (2R)-1-bromohexadecan-2-ol (CID 155935936) is (2R)-1-bromohexadecan-2-ol.
What is the SMILES notation for (2R)-1-bromohexadecan-2-ol?
The canonical SMILES for (2R)-1-bromohexadecan-2-ol is CCCCCCCCCCCCCC[C@@H](O)CBr.
What is the InChIKey of (2R)-1-bromohexadecan-2-ol?
The InChIKey is SDSZSDGXMZYJHU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16,18H,2-15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-bromohexadecan-2-ol?
(2R)-1-bromohexadecan-2-ol has a molecular weight of 321.34 g/mol, XLogP of 5.83, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-bromohexadecan-2-ol is sourced from PubChem (CID 155935936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).