(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol

C6H10O2 — CID 12636256

IUPAC(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESOC1CC[C@H]2O[C@@H]2C1
InChIInChI=1S/C6H10O2/c7-4-1-2-5-6(3-4)8-5/h4-7H,1-3H2/t4?,5-,6-/m1/s1
InChIKeyOULAQVCZRNCPNC-YSLANXFLSA-N
MW114.14 g/mol
LogP0.30
Rot. Bonds

About (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol

(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol (PubChem CID 12636256) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
PubChem CID12636256
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESOC1CC[C@H]2O[C@@H]2C1
InChIInChI=1S/C6H10O2/c7-4-1-2-5-6(3-4)8-5/h4-7H,1-3H2/t4?,5-,6-/m1/s1
InChIKeyOULAQVCZRNCPNC-YSLANXFLSA-N
XLogP0.30
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 ≤ 50.30
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 (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol (CID 12636256) is (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol is OC1CC[C@H]2O[C@@H]2C1.
What is the InChIKey of (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol?
The InChIKey is OULAQVCZRNCPNC-YSLANXFLSA-N. The full InChI is InChI=1S/C6H10O2/c7-4-1-2-5-6(3-4)8-5/h4-7H,1-3H2/t4?,5-,6-/m1/s1.
What are the key properties of (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol?
(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol has a molecular weight of 114.14 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 12636256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).