[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol

C10H18O2 — CID 13227630

IUPAC[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESOCC12CCC(CO)(CC1)CC2
InChIInChI=1S/C10H18O2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h11-12H,1-8H2
InChIKeyDLBHMXBDKPROEG-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.31
Rot. Bonds2

About [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol

[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol (PubChem CID 13227630) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
PubChem CID13227630
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
SMILESOCC12CCC(CO)(CC1)CC2
InChIInChI=1S/C10H18O2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h11-12H,1-8H2
InChIKeyDLBHMXBDKPROEG-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol (CID 13227630) is [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol is OCC12CCC(CO)(CC1)CC2.
What is the InChIKey of [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is DLBHMXBDKPROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h11-12H,1-8H2.
What are the key properties of [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol?
[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 13227630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).