(1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol

C6H10O2 — CID 12817964

IUPAC(1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol
SMILESC[C@@H]1[C@@H]2O[C@@H]2C[C@@H]1O
InChIInChI=1S/C6H10O2/c1-3-4(7)2-5-6(3)8-5/h3-7H,2H2,1H3/t3-,4-,5+,6-/m0/s1
InChIKeyHGVAKCSOLSSZOT-AZGQCCRYSA-N
MW114.14 g/mol
LogP0.15
Rot. Bonds

About (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol

(1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol (PubChem CID 12817964) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol
PubChem CID12817964
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol
SMILESC[C@@H]1[C@@H]2O[C@@H]2C[C@@H]1O
InChIInChI=1S/C6H10O2/c1-3-4(7)2-5-6(3)8-5/h3-7H,2H2,1H3/t3-,4-,5+,6-/m0/s1
InChIKeyHGVAKCSOLSSZOT-AZGQCCRYSA-N
XLogP0.15
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol (CID 12817964) is (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol is C[C@@H]1[C@@H]2O[C@@H]2C[C@@H]1O.
What is the InChIKey of (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol?
The InChIKey is HGVAKCSOLSSZOT-AZGQCCRYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4(7)2-5-6(3)8-5/h3-7H,2H2,1H3/t3-,4-,5+,6-/m0/s1.
What are the key properties of (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol?
(1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol has a molecular weight of 114.14 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-2-methyl-6-oxabicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 12817964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).