1-bicyclo[2.2.2]octanylmethanol

C9H16O — CID 13245694

IUPAC1-bicyclo[2.2.2]octanylmethanol
SMILESOCC12CCC(CC1)CC2
InChIInChI=1S/C9H16O/c10-7-9-4-1-8(2-5-9)3-6-9/h8,10H,1-7H2
InChIKeyHNFOXZBCUXJBJM-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.95
Rot. Bonds1

About 1-bicyclo[2.2.2]octanylmethanol

1-bicyclo[2.2.2]octanylmethanol (PubChem CID 13245694) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-bicyclo[2.2.2]octanylmethanol.

Molecular Properties

Compound Name1-bicyclo[2.2.2]octanylmethanol
PubChem CID13245694
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-bicyclo[2.2.2]octanylmethanol
SMILESOCC12CCC(CC1)CC2
InChIInChI=1S/C9H16O/c10-7-9-4-1-8(2-5-9)3-6-9/h8,10H,1-7H2
InChIKeyHNFOXZBCUXJBJM-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.2]octanylmethanol?
The IUPAC name of 1-bicyclo[2.2.2]octanylmethanol (CID 13245694) is 1-bicyclo[2.2.2]octanylmethanol.
What is the SMILES notation for 1-bicyclo[2.2.2]octanylmethanol?
The canonical SMILES for 1-bicyclo[2.2.2]octanylmethanol is OCC12CCC(CC1)CC2.
What is the InChIKey of 1-bicyclo[2.2.2]octanylmethanol?
The InChIKey is HNFOXZBCUXJBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c10-7-9-4-1-8(2-5-9)3-6-9/h8,10H,1-7H2.
What are the key properties of 1-bicyclo[2.2.2]octanylmethanol?
1-bicyclo[2.2.2]octanylmethanol has a molecular weight of 140.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.2]octanylmethanol is sourced from PubChem (CID 13245694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).