(5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one

C10H14O2 — CID 58610466

IUPAC(5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one
SMILESC=C1O[C@H]2C(C)C(=O)CC1C2C
InChIInChI=1S/C10H14O2/c1-5-8-4-9(11)6(2)10(5)12-7(8)3/h5-6,8,10H,3-4H2,1-2H3/t5?,6?,8?,10-/m1/s1
InChIKeyKJXATNWCTJUXTK-KKQXYJLDSA-N
MW166.22 g/mol
LogP1.76
Rot. Bonds

About (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one

(5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one (PubChem CID 58610466) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one
PubChem CID58610466
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one
SMILESC=C1O[C@H]2C(C)C(=O)CC1C2C
InChIInChI=1S/C10H14O2/c1-5-8-4-9(11)6(2)10(5)12-7(8)3/h5-6,8,10H,3-4H2,1-2H3/t5?,6?,8?,10-/m1/s1
InChIKeyKJXATNWCTJUXTK-KKQXYJLDSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclodehydroisolubimin
CID 119025632
Spiro[cyclopentane-1,8a(2)-[6]oxabicyclo[3.2.1]octan]-3a(2)-one, 5a(2)-methyl-3-(1-methylethenyl)-, (1R,1a(2)S,3R,5a(2)R)-rel-(-)-
CID 14258974
(1S,4S,5R)-1,4-dimethyl-2-prop-2-enyl-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 58566925
(1S,4S,5S)-1,4-dimethyl-2-prop-2-enyl-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 173570966
6-Oxatricyclo[5.4.0.04,8]undec-10-en-2-one
CID 12779206

Frequently Asked Questions

What is the IUPAC name of (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one (CID 58610466) is (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one is C=C1O[C@H]2C(C)C(=O)CC1C2C.
What is the InChIKey of (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is KJXATNWCTJUXTK-KKQXYJLDSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-8-4-9(11)6(2)10(5)12-7(8)3/h5-6,8,10H,3-4H2,1-2H3/t5?,6?,8?,10-/m1/s1.
What are the key properties of (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one?
(5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,8-dimethyl-7-methylidene-6-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 58610466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).