[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C8H12O — CID 6579449

IUPAC[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1
InChIKeyLUMNWCHHXDUKFI-XLPZGREQSA-N
MW124.18 g/mol
LogP1.19
Rot. Bonds1

About [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 6579449) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID6579449
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1
InChIKeyLUMNWCHHXDUKFI-XLPZGREQSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 6579449) is [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol is OC[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is LUMNWCHHXDUKFI-XLPZGREQSA-N. The full InChI is InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8+/m0/s1.
What are the key properties of [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 124.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 6579449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).