(1S,6S)-6-bromocyclohex-3-en-1-ol

C6H9BrO — CID 100952550

IUPAC(1S,6S)-6-bromocyclohex-3-en-1-ol
SMILESO[C@H]1CC=CC[C@@H]1Br
InChIInChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h1-2,5-6,8H,3-4H2/t5-,6-/m0/s1
InChIKeyNPXVKEACJHWOEB-WDSKDSINSA-N
MW177.04 g/mol
LogP1.46
Rot. Bonds

About (1S,6S)-6-bromocyclohex-3-en-1-ol

(1S,6S)-6-bromocyclohex-3-en-1-ol (PubChem CID 100952550) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is (1S,6S)-6-bromocyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1S,6S)-6-bromocyclohex-3-en-1-ol
PubChem CID100952550
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Name(1S,6S)-6-bromocyclohex-3-en-1-ol
SMILESO[C@H]1CC=CC[C@@H]1Br
InChIInChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h1-2,5-6,8H,3-4H2/t5-,6-/m0/s1
InChIKeyNPXVKEACJHWOEB-WDSKDSINSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 51.46
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 (1S,6S)-6-bromocyclohex-3-en-1-ol?
The IUPAC name of (1S,6S)-6-bromocyclohex-3-en-1-ol (CID 100952550) is (1S,6S)-6-bromocyclohex-3-en-1-ol.
What is the SMILES notation for (1S,6S)-6-bromocyclohex-3-en-1-ol?
The canonical SMILES for (1S,6S)-6-bromocyclohex-3-en-1-ol is O[C@H]1CC=CC[C@@H]1Br.
What is the InChIKey of (1S,6S)-6-bromocyclohex-3-en-1-ol?
The InChIKey is NPXVKEACJHWOEB-WDSKDSINSA-N. The full InChI is InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h1-2,5-6,8H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (1S,6S)-6-bromocyclohex-3-en-1-ol?
(1S,6S)-6-bromocyclohex-3-en-1-ol has a molecular weight of 177.04 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-bromocyclohex-3-en-1-ol is sourced from PubChem (CID 100952550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).