(2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane

C9H16O — CID 130224432

IUPAC(2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane
SMILESCC1C2C(CO[C@H]2C)[C@@H]1C
InChIInChI=1S/C9H16O/c1-5-6(2)9-7(3)10-4-8(5)9/h5-9H,4H2,1-3H3/t5-,6?,7+,8?,9?/m1/s1
InChIKeyDWGRMFKJTZVTCB-BQLHFEKKSA-N
MW140.23 g/mol
LogP1.92
Rot. Bonds

About (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane

(2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane (PubChem CID 130224432) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane
PubChem CID130224432
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane
SMILESCC1C2C(CO[C@H]2C)[C@@H]1C
InChIInChI=1S/C9H16O/c1-5-6(2)9-7(3)10-4-8(5)9/h5-9H,4H2,1-3H3/t5-,6?,7+,8?,9?/m1/s1
InChIKeyDWGRMFKJTZVTCB-BQLHFEKKSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane?
The IUPAC name of (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane (CID 130224432) is (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane.
What is the SMILES notation for (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane?
The canonical SMILES for (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane is CC1C2C(CO[C@H]2C)[C@@H]1C.
What is the InChIKey of (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane?
The InChIKey is DWGRMFKJTZVTCB-BQLHFEKKSA-N. The full InChI is InChI=1S/C9H16O/c1-5-6(2)9-7(3)10-4-8(5)9/h5-9H,4H2,1-3H3/t5-,6?,7+,8?,9?/m1/s1.
What are the key properties of (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane?
(2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane has a molecular weight of 140.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6,7-trimethyl-3-oxabicyclo[3.2.0]heptane is sourced from PubChem (CID 130224432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).