(1S)-2-bromocyclohex-2-en-1-ol

C6H9BrO — CID 5325864

IUPAC(1S)-2-bromocyclohex-2-en-1-ol
SMILESO[C@H]1CCCC=C1Br
InChIInChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h3,6,8H,1-2,4H2/t6-/m0/s1
InChIKeySVDKKDWANPIULS-LURJTMIESA-N
MW177.04 g/mol
LogP1.81
Rot. Bonds

About (1S)-2-bromocyclohex-2-en-1-ol

(1S)-2-bromocyclohex-2-en-1-ol (PubChem CID 5325864) has the molecular formula C6H9BrO and a molecular weight of 177.04 g/mol. Its IUPAC name is (1S)-2-bromocyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-bromocyclohex-2-en-1-ol
PubChem CID5325864
Molecular FormulaC6H9BrO
Molecular Weight177.04 g/mol
Exact Mass175.98
IUPAC Name(1S)-2-bromocyclohex-2-en-1-ol
SMILESO[C@H]1CCCC=C1Br
InChIInChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h3,6,8H,1-2,4H2/t6-/m0/s1
InChIKeySVDKKDWANPIULS-LURJTMIESA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-bromocyclohex-2-en-1-ol?
The IUPAC name of (1S)-2-bromocyclohex-2-en-1-ol (CID 5325864) is (1S)-2-bromocyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-2-bromocyclohex-2-en-1-ol?
The canonical SMILES for (1S)-2-bromocyclohex-2-en-1-ol is O[C@H]1CCCC=C1Br.
What is the InChIKey of (1S)-2-bromocyclohex-2-en-1-ol?
The InChIKey is SVDKKDWANPIULS-LURJTMIESA-N. The full InChI is InChI=1S/C6H9BrO/c7-5-3-1-2-4-6(5)8/h3,6,8H,1-2,4H2/t6-/m0/s1.
What are the key properties of (1S)-2-bromocyclohex-2-en-1-ol?
(1S)-2-bromocyclohex-2-en-1-ol has a molecular weight of 177.04 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-bromocyclohex-2-en-1-ol is sourced from PubChem (CID 5325864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).