(1S)-cyclohexa-2,4-dien-1-ol

C6H8O — CID 12024285

IUPAC(1S)-cyclohexa-2,4-dien-1-ol
SMILESO[C@@H]1C=CC=CC1
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-4,6-7H,5H2/t6-/m1/s1
InChIKeyMIHINWMALJZIBX-ZCFIWIBFSA-N
MW96.13 g/mol
LogP0.86
Rot. Bonds

About (1S)-cyclohexa-2,4-dien-1-ol

(1S)-cyclohexa-2,4-dien-1-ol (PubChem CID 12024285) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is (1S)-cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S)-cyclohexa-2,4-dien-1-ol
PubChem CID12024285
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name(1S)-cyclohexa-2,4-dien-1-ol
SMILESO[C@@H]1C=CC=CC1
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-4,6-7H,5H2/t6-/m1/s1
InChIKeyMIHINWMALJZIBX-ZCFIWIBFSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-cyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S)-cyclohexa-2,4-dien-1-ol (CID 12024285) is (1S)-cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S)-cyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S)-cyclohexa-2,4-dien-1-ol is O[C@@H]1C=CC=CC1.
What is the InChIKey of (1S)-cyclohexa-2,4-dien-1-ol?
The InChIKey is MIHINWMALJZIBX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-4,6-7H,5H2/t6-/m1/s1.
What are the key properties of (1S)-cyclohexa-2,4-dien-1-ol?
(1S)-cyclohexa-2,4-dien-1-ol has a molecular weight of 96.13 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 12024285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).