[2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C11H18O4 — CID 15309122

IUPAC[2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOCC1(CO)C2C=CC(C2)C1(CO)CO
InChIInChI=1S/C11H18O4/c12-4-10(5-13)8-1-2-9(3-8)11(10,6-14)7-15/h1-2,8-9,12-15H,3-7H2
InChIKeyYPDQJSAPULDWCT-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.87
Rot. Bonds4

About [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 15309122) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID15309122
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESOCC1(CO)C2C=CC(C2)C1(CO)CO
InChIInChI=1S/C11H18O4/c12-4-10(5-13)8-1-2-9(3-8)11(10,6-14)7-15/h1-2,8-9,12-15H,3-7H2
InChIKeyYPDQJSAPULDWCT-UHFFFAOYSA-N
XLogP-0.87
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo(2.2.1)hept-5-ene-2-methanol
CID 78946
5-Norbornene-2,3-dimethanol
CID 97724
4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene
CID 110917
2-Methyl-5-norbornene-2-methanol
CID 98088
5-Norbornene-2-exo,3-exo-dimethanol
CID 11862151
Bicyclo[2.2.1]hept-5-ene-2-methanol, 5,6-dimethyl-1-(1-methylethenyl)-
CID 86114
5-Norbornene-2-endo,3-endo-dimethanol
CID 10773190
(5R)-5-Hydroxymethylbicyclo[2.2.1]hept-2-ene
CID 12268643
Norborna-5-ene-2alpha,3alpha-dimethanol
CID 12253651
[(2S,3aS,7aS)-3,3,4,4,7a-pentamethyl-1,2,3a,7-tetrahydroinden-2-yl]methanol
CID 163024518
[(2S,3aS,7aR)-3,3,4,4,7a-pentamethyl-1,2,3a,5-tetrahydroinden-2-yl]methanol
CID 163034936
Unii-B4Q97fdn44
CID 6579449

Frequently Asked Questions

What is the IUPAC name of [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 15309122) is [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is OCC1(CO)C2C=CC(C2)C1(CO)CO.
What is the InChIKey of [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is YPDQJSAPULDWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-4-10(5-13)8-1-2-9(3-8)11(10,6-14)7-15/h1-2,8-9,12-15H,3-7H2.
What are the key properties of [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 214.26 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,3-tris(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 15309122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).