[6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol

C12H18O2 — CID 15921397

IUPAC[6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
SMILESOCC12C=CCC1(CO)C1CCC2C1
InChIInChI=1S/C12H18O2/c13-7-11-4-1-5-12(11,8-14)10-3-2-9(11)6-10/h1,4,9-10,13-14H,2-3,5-8H2
InChIKeyDVYDCVIRMRUJFX-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.33
Rot. Bonds2

About [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol

[6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol (PubChem CID 15921397) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
PubChem CID15921397
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol
SMILESOCC12C=CCC1(CO)C1CCC2C1
InChIInChI=1S/C12H18O2/c13-7-11-4-1-5-12(11,8-14)10-3-2-9(11)6-10/h1,4,9-10,13-14H,2-3,5-8H2
InChIKeyDVYDCVIRMRUJFX-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 [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
The IUPAC name of [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol (CID 15921397) is [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol is OCC12C=CCC1(CO)C1CCC2C1.
What is the InChIKey of [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
The InChIKey is DVYDCVIRMRUJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-7-11-4-1-5-12(11,8-14)10-3-2-9(11)6-10/h1,4,9-10,13-14H,2-3,5-8H2.
What are the key properties of [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol?
[6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-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 [6-(hydroxymethyl)-2-tricyclo[5.2.1.02,6]dec-4-enyl]methanol is sourced from PubChem (CID 15921397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).