[2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol

C12H18O2 — CID 57098798

IUPAC[2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
SMILESOCC12CCC(C1)C1CC=CC12CO
InChIInChI=1S/C12H18O2/c13-7-11-5-3-9(6-11)10-2-1-4-12(10,11)8-14/h1,4,9-10,13-14H,2-3,5-8H2
InChIKeySIHNMRFYGAMGGV-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.33
Rot. Bonds2

About [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol

[2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol (PubChem CID 57098798) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
PubChem CID57098798
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
SMILESOCC12CCC(C1)C1CC=CC12CO
InChIInChI=1S/C12H18O2/c13-7-11-5-3-9(6-11)10-2-1-4-12(10,11)8-14/h1,4,9-10,13-14H,2-3,5-8H2
InChIKeySIHNMRFYGAMGGV-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.33
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 [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol (CID 57098798) is [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol is OCC12CCC(C1)C1CC=CC12CO.
What is the InChIKey of [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
The InChIKey is SIHNMRFYGAMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-7-11-5-3-9(6-11)10-2-1-4-12(10,11)8-14/h1,4,9-10,13-14H,2-3,5-8H2.
What are the key properties of [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol?
[2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol has a molecular weight of 194.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]dec-3-enyl]methanol is sourced from PubChem (CID 57098798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).