(1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

C10H16O2 — CID 71394104

IUPAC(1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
SMILESCC1(C)C[C@@]2(C)CC1CC(=O)O2
InChIInChI=1S/C10H16O2/c1-9(2)6-10(3)5-7(9)4-8(11)12-10/h7H,4-6H2,1-3H3/t7?,10-/m1/s1
InChIKeyJWSMJGHFZCZXHL-OMNKOJBGSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds

About (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

(1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one (PubChem CID 71394104) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
PubChem CID71394104
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
SMILESCC1(C)C[C@@]2(C)CC1CC(=O)O2
InChIInChI=1S/C10H16O2/c1-9(2)6-10(3)5-7(9)4-8(11)12-10/h7H,4-6H2,1-3H3/t7?,10-/m1/s1
InChIKeyJWSMJGHFZCZXHL-OMNKOJBGSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one (CID 71394104) is (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one is CC1(C)C[C@@]2(C)CC1CC(=O)O2.
What is the InChIKey of (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is JWSMJGHFZCZXHL-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)6-10(3)5-7(9)4-8(11)12-10/h7H,4-6H2,1-3H3/t7?,10-/m1/s1.
What are the key properties of (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one?
(1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,6,6-trimethyl-2-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 71394104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).