[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C9H14O2 — CID 11862151

IUPAC[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8+,9-
InChIKeyIGHHPVIMEQGKNE-OJOKCITNSA-N
MW154.21 g/mol
LogP0.41
Rot. Bonds2

About [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 11862151) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID11862151
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOC[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8+,9-
InChIKeyIGHHPVIMEQGKNE-OJOKCITNSA-N
XLogP0.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 11862151) is [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is OC[C@@H]1[C@H](CO)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is IGHHPVIMEQGKNE-OJOKCITNSA-N. The full InChI is InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8+,9-.
What are the key properties of [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 154.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 11862151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).