3,8,8-trimethylbicyclo[5.1.0]octan-4-one

C11H18O — CID 165074631

IUPAC3,8,8-trimethylbicyclo[5.1.0]octan-4-one
SMILESCC1CC2C(CCC1=O)C2(C)C
InChIInChI=1S/C11H18O/c1-7-6-9-8(11(9,2)3)4-5-10(7)12/h7-9H,4-6H2,1-3H3
InChIKeyQYOTXDGEIGBWTF-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About 3,8,8-trimethylbicyclo[5.1.0]octan-4-one

3,8,8-trimethylbicyclo[5.1.0]octan-4-one (PubChem CID 165074631) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,8,8-trimethylbicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3,8,8-trimethylbicyclo[5.1.0]octan-4-one
PubChem CID165074631
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,8,8-trimethylbicyclo[5.1.0]octan-4-one
SMILESCC1CC2C(CCC1=O)C2(C)C
InChIInChI=1S/C11H18O/c1-7-6-9-8(11(9,2)3)4-5-10(7)12/h7-9H,4-6H2,1-3H3
InChIKeyQYOTXDGEIGBWTF-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4S,6R)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
CID 131020797
(1R,3R,9R,14R)-9-hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-6,10-dien-4-one
CID 162865179
6,6-dimethylbicyclo[3.1.0]hexan-2-one
CID 12740328
(1R,3R,7R,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undecane-2,6-dione
CID 7103251
(1S,5S,6S)-6-chloro-6-methylbicyclo[3.1.0]hexan-2-one
CID 124748765
(1S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 58065052
(4R)-4,7,7-trimethylbicyclo[4.1.1]octan-3-one
CID 130612042
7,11-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,9-dien-4-one
CID 163107626
1,1,2,3,3-pentamethyl-3a,6,7,7a-tetrahydro-2H-indene-4,5-dione
CID 70926475
5-hydroxy-2-methylcycloheptan-1-one
CID 20517423
[(1R,3S)-3-methyl-4-oxocyclohexyl] dihydrogen phosphate
CID 102516435
(17Z)-17-ethylidene-2,13-dimethyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one
CID 144732745

Frequently Asked Questions

What is the IUPAC name of 3,8,8-trimethylbicyclo[5.1.0]octan-4-one?
The IUPAC name of 3,8,8-trimethylbicyclo[5.1.0]octan-4-one (CID 165074631) is 3,8,8-trimethylbicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3,8,8-trimethylbicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3,8,8-trimethylbicyclo[5.1.0]octan-4-one is CC1CC2C(CCC1=O)C2(C)C.
What is the InChIKey of 3,8,8-trimethylbicyclo[5.1.0]octan-4-one?
The InChIKey is QYOTXDGEIGBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-6-9-8(11(9,2)3)4-5-10(7)12/h7-9H,4-6H2,1-3H3.
What are the key properties of 3,8,8-trimethylbicyclo[5.1.0]octan-4-one?
3,8,8-trimethylbicyclo[5.1.0]octan-4-one has a molecular weight of 166.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8-trimethylbicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 165074631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).