(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol

C8H14O2 — CID 99952296

IUPAC(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol
SMILESCC1(C)[C@@H]2OCC[C@@H]2[C@@H]1O
InChIInChI=1S/C8H14O2/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7,9H,3-4H2,1-2H3/t5-,6+,7-/m1/s1
InChIKeyHASPJWYKJWCIDG-DSYKOEDSSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds

About (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol

(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol (PubChem CID 99952296) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol
PubChem CID99952296
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol
SMILESCC1(C)[C@@H]2OCC[C@@H]2[C@@H]1O
InChIInChI=1S/C8H14O2/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7,9H,3-4H2,1-2H3/t5-,6+,7-/m1/s1
InChIKeyHASPJWYKJWCIDG-DSYKOEDSSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol (CID 99952296) is (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol is CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1O.
What is the InChIKey of (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol?
The InChIKey is HASPJWYKJWCIDG-DSYKOEDSSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2)6(9)5-3-4-10-7(5)8/h5-7,9H,3-4H2,1-2H3/t5-,6+,7-/m1/s1.
What are the key properties of (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol?
(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol has a molecular weight of 142.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 99952296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).