[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol

C6H10O2 — CID 130891139

IUPAC[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol
SMILESOC[C@@H]1[C@@H]2CO[C@H]1C2
InChIInChI=1S/C6H10O2/c7-2-5-4-1-6(5)8-3-4/h4-7H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyRUJHNFOUNCRGLS-JKUQZMGJSA-N
MW114.14 g/mol
LogP0.01
Rot. Bonds1

About [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol

[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol (PubChem CID 130891139) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol.

Molecular Properties

Compound Name[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol
PubChem CID130891139
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol
SMILESOC[C@@H]1[C@@H]2CO[C@H]1C2
InChIInChI=1S/C6H10O2/c7-2-5-4-1-6(5)8-3-4/h4-7H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyRUJHNFOUNCRGLS-JKUQZMGJSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol?
The IUPAC name of [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol (CID 130891139) is [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol.
What is the SMILES notation for [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol?
The canonical SMILES for [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol is OC[C@@H]1[C@@H]2CO[C@H]1C2.
What is the InChIKey of [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol?
The InChIKey is RUJHNFOUNCRGLS-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H10O2/c7-2-5-4-1-6(5)8-3-4/h4-7H,1-3H2/t4-,5+,6-/m0/s1.
What are the key properties of [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol?
[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol has a molecular weight of 114.14 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol is sourced from PubChem (CID 130891139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).