(2R)-1-bromohex-5-en-2-ol

C6H11BrO — CID 134993123

IUPAC(2R)-1-bromohex-5-en-2-ol
SMILESC=CCC[C@@H](O)CBr
InChIInChI=1S/C6H11BrO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5H2/t6-/m1/s1
InChIKeySFTWMRGCLIEBCC-ZCFIWIBFSA-N
MW179.06 g/mol
LogP1.71
Rot. Bonds4

About (2R)-1-bromohex-5-en-2-ol

(2R)-1-bromohex-5-en-2-ol (PubChem CID 134993123) has the molecular formula C6H11BrO and a molecular weight of 179.06 g/mol. Its IUPAC name is (2R)-1-bromohex-5-en-2-ol.

Molecular Properties

Compound Name(2R)-1-bromohex-5-en-2-ol
PubChem CID134993123
Molecular FormulaC6H11BrO
Molecular Weight179.06 g/mol
Exact Mass178.00
IUPAC Name(2R)-1-bromohex-5-en-2-ol
SMILESC=CCC[C@@H](O)CBr
InChIInChI=1S/C6H11BrO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5H2/t6-/m1/s1
InChIKeySFTWMRGCLIEBCC-ZCFIWIBFSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.06
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromohex-5-en-2-ol?
The IUPAC name of (2R)-1-bromohex-5-en-2-ol (CID 134993123) is (2R)-1-bromohex-5-en-2-ol.
What is the SMILES notation for (2R)-1-bromohex-5-en-2-ol?
The canonical SMILES for (2R)-1-bromohex-5-en-2-ol is C=CCC[C@@H](O)CBr.
What is the InChIKey of (2R)-1-bromohex-5-en-2-ol?
The InChIKey is SFTWMRGCLIEBCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11BrO/c1-2-3-4-6(8)5-7/h2,6,8H,1,3-5H2/t6-/m1/s1.
What are the key properties of (2R)-1-bromohex-5-en-2-ol?
(2R)-1-bromohex-5-en-2-ol has a molecular weight of 179.06 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-bromohex-5-en-2-ol is sourced from PubChem (CID 134993123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).