(7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

C8H12O — CID 143715717

IUPAC(7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(OCC2)[C@H]1C
InChIInChI=1S/C8H12O/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyAZCPXCYBUYQNLV-GDVGLLTNSA-N
MW124.18 g/mol
LogP1.95
Rot. Bonds

About (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

(7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 143715717) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name(7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
PubChem CID143715717
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(OCC2)[C@H]1C
InChIInChI=1S/C8H12O/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyAZCPXCYBUYQNLV-GDVGLLTNSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (CID 143715717) is (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is CC1C2=C(OCC2)[C@H]1C.
What is the InChIKey of (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is AZCPXCYBUYQNLV-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H12O/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
(7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 124.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 143715717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).