(3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one

C10H12O2 — CID 140545967

IUPAC(3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one
SMILESCC1=C2OC3[C@@H]1C(C)(C)[C@H]3C2=O
InChIInChI=1S/C10H12O2/c1-4-5-9-6(10(5,2)3)7(11)8(4)12-9/h5-6,9H,1-3H3/t5-,6+,9?/m1/s1
InChIKeyCVHNZBJJPINAEV-MKYOYSSRSA-N
MW164.20 g/mol
LogP1.51
Rot. Bonds

About (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one

(3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one (PubChem CID 140545967) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one.

Molecular Properties

Compound Name(3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one
PubChem CID140545967
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one
SMILESCC1=C2OC3[C@@H]1C(C)(C)[C@H]3C2=O
InChIInChI=1S/C10H12O2/c1-4-5-9-6(10(5,2)3)7(11)8(4)12-9/h5-6,9H,1-3H3/t5-,6+,9?/m1/s1
InChIKeyCVHNZBJJPINAEV-MKYOYSSRSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one?
The IUPAC name of (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one (CID 140545967) is (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one.
What is the SMILES notation for (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one?
The canonical SMILES for (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one is CC1=C2OC3[C@@H]1C(C)(C)[C@H]3C2=O.
What is the InChIKey of (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one?
The InChIKey is CVHNZBJJPINAEV-MKYOYSSRSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-5-9-6(10(5,2)3)7(11)8(4)12-9/h5-6,9H,1-3H3/t5-,6+,9?/m1/s1.
What are the key properties of (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one?
(3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-4,4,8-trimethyl-7-oxatricyclo[3.2.1.03,6]oct-1(8)-en-2-one is sourced from PubChem (CID 140545967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).