(2S)-1-bromooctan-2-ol

C8H17BrO — CID 102061946

IUPAC(2S)-1-bromooctan-2-ol
SMILESCCCCCC[C@H](O)CBr
InChIInChI=1S/C8H17BrO/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyUOOOQHMFMRVNJN-QMMMGPOBSA-N
MW209.13 g/mol
LogP2.71
Rot. Bonds6

About (2S)-1-bromooctan-2-ol

(2S)-1-bromooctan-2-ol (PubChem CID 102061946) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is (2S)-1-bromooctan-2-ol.

Molecular Properties

Compound Name(2S)-1-bromooctan-2-ol
PubChem CID102061946
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name(2S)-1-bromooctan-2-ol
SMILESCCCCCC[C@H](O)CBr
InChIInChI=1S/C8H17BrO/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyUOOOQHMFMRVNJN-QMMMGPOBSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.71
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

(2R)-1-bromohexadecan-2-ol
CID 155935936
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
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromooctan-2-ol?
The IUPAC name of (2S)-1-bromooctan-2-ol (CID 102061946) is (2S)-1-bromooctan-2-ol.
What is the SMILES notation for (2S)-1-bromooctan-2-ol?
The canonical SMILES for (2S)-1-bromooctan-2-ol is CCCCCC[C@H](O)CBr.
What is the InChIKey of (2S)-1-bromooctan-2-ol?
The InChIKey is UOOOQHMFMRVNJN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17BrO/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-bromooctan-2-ol?
(2S)-1-bromooctan-2-ol has a molecular weight of 209.13 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromooctan-2-ol is sourced from PubChem (CID 102061946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).