[1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol

C12H22O2 — CID 66952313

IUPAC[1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol
SMILESOCC1CCCCC2CCC1(CO)C2
InChIInChI=1S/C12H22O2/c13-8-11-4-2-1-3-10-5-6-12(11,7-10)9-14/h10-11,13-14H,1-9H2
InChIKeyAILXNGBWWBUCOD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.95
Rot. Bonds2

About [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol

[1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol (PubChem CID 66952313) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol
PubChem CID66952313
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol
SMILESOCC1CCCCC2CCC1(CO)C2
InChIInChI=1S/C12H22O2/c13-8-11-4-2-1-3-10-5-6-12(11,7-10)9-14/h10-11,13-14H,1-9H2
InChIKeyAILXNGBWWBUCOD-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol?
The IUPAC name of [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol (CID 66952313) is [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol is OCC1CCCCC2CCC1(CO)C2.
What is the InChIKey of [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol?
The InChIKey is AILXNGBWWBUCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c13-8-11-4-2-1-3-10-5-6-12(11,7-10)9-14/h10-11,13-14H,1-9H2.
What are the key properties of [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol?
[1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol has a molecular weight of 198.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-2-bicyclo[5.2.1]decanyl]methanol is sourced from PubChem (CID 66952313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).