(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol

C5H8O2 — CID 130756816

IUPAC(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
SMILESOC1OC[C@H]2C[C@@H]12
InChIInChI=1S/C5H8O2/c6-5-4-1-3(4)2-7-5/h3-6H,1-2H2/t3-,4-,5?/m1/s1
InChIKeyNFIBXDLQBNOODK-ZZKAVYKESA-N
MW100.12 g/mol
LogP-0.03
Rot. Bonds

About (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol

(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol (PubChem CID 130756816) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
PubChem CID130756816
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
SMILESOC1OC[C@H]2C[C@@H]12
InChIInChI=1S/C5H8O2/c6-5-4-1-3(4)2-7-5/h3-6H,1-2H2/t3-,4-,5?/m1/s1
InChIKeyNFIBXDLQBNOODK-ZZKAVYKESA-N
XLogP-0.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol with MolForge

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Related Compounds

1a,2,2a,3,5,5a,6,6a-octahydrooxireno[2,3-f][2]benzofuran-3-ol
CID 163873377
(3aS,4aS,7R,7aR,8aR)-2,2-dimethyl-3a,4,4a,5,7,7a,8,8a-octahydro-[1,3]dioxolo[4,5-f][2]benzofuran-7-ol
CID 101444272
(1R,3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran-1-ol
CID 11083994
4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
CID 14226074
1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol
CID 73178447
(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
CID 100948278
6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
CID 130146998
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(2S,3S,4S)-oxolane-2,3,4-triol
CID 10464337
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 169044740

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol (CID 130756816) is (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol is OC1OC[C@H]2C[C@@H]12.
What is the InChIKey of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol?
The InChIKey is NFIBXDLQBNOODK-ZZKAVYKESA-N. The full InChI is InChI=1S/C5H8O2/c6-5-4-1-3(4)2-7-5/h3-6H,1-2H2/t3-,4-,5?/m1/s1.
What are the key properties of (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol?
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol has a molecular weight of 100.12 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130756816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).