(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane

C7H12O — CID 59747310

IUPAC(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
SMILESC[C@H]1CC2CCC1O2
InChIInChI=1S/C7H12O/c1-5-4-6-2-3-7(5)8-6/h5-7H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyYSPMLGNTRGMJLE-VTSJMVTISA-N
MW112.17 g/mol
LogP1.57
Rot. Bonds

About (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane

(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 59747310) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
PubChem CID59747310
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane
SMILESC[C@H]1CC2CCC1O2
InChIInChI=1S/C7H12O/c1-5-4-6-2-3-7(5)8-6/h5-7H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyYSPMLGNTRGMJLE-VTSJMVTISA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane (CID 59747310) is (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane is C[C@H]1CC2CCC1O2.
What is the InChIKey of (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is YSPMLGNTRGMJLE-VTSJMVTISA-N. The full InChI is InChI=1S/C7H12O/c1-5-4-6-2-3-7(5)8-6/h5-7H,2-4H2,1H3/t5-,6?,7?/m0/s1.
What are the key properties of (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane?
(2S)-2-methyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 112.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 59747310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).