2-oxabicyclo[2.1.1]hexan-1-ylmethanol

C6H10O2 — CID 125449602

IUPAC2-oxabicyclo[2.1.1]hexan-1-ylmethanol
SMILESOCC12CC(CO1)C2
InChIInChI=1S/C6H10O2/c7-4-6-1-5(2-6)3-8-6/h5,7H,1-4H2
InChIKeyDISAAIHTGSBMRS-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.16
Rot. Bonds1

About 2-oxabicyclo[2.1.1]hexan-1-ylmethanol

2-oxabicyclo[2.1.1]hexan-1-ylmethanol (PubChem CID 125449602) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-oxabicyclo[2.1.1]hexan-1-ylmethanol.

Molecular Properties

Compound Name2-oxabicyclo[2.1.1]hexan-1-ylmethanol
PubChem CID125449602
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-oxabicyclo[2.1.1]hexan-1-ylmethanol
SMILESOCC12CC(CO1)C2
InChIInChI=1S/C6H10O2/c7-4-6-1-5(2-6)3-8-6/h5,7H,1-4H2
InChIKeyDISAAIHTGSBMRS-UHFFFAOYSA-N
XLogP0.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.1.1]hexan-1-ylmethanol?
The IUPAC name of 2-oxabicyclo[2.1.1]hexan-1-ylmethanol (CID 125449602) is 2-oxabicyclo[2.1.1]hexan-1-ylmethanol.
What is the SMILES notation for 2-oxabicyclo[2.1.1]hexan-1-ylmethanol?
The canonical SMILES for 2-oxabicyclo[2.1.1]hexan-1-ylmethanol is OCC12CC(CO1)C2.
What is the InChIKey of 2-oxabicyclo[2.1.1]hexan-1-ylmethanol?
The InChIKey is DISAAIHTGSBMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-4-6-1-5(2-6)3-8-6/h5,7H,1-4H2.
What are the key properties of 2-oxabicyclo[2.1.1]hexan-1-ylmethanol?
2-oxabicyclo[2.1.1]hexan-1-ylmethanol has a molecular weight of 114.14 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.1.1]hexan-1-ylmethanol is sourced from PubChem (CID 125449602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).