3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one

C14H22O — CID 68577169

IUPAC3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one
SMILESCC(C)C12CC3(C)CC(C)(C)C1C2C3=O
InChIInChI=1S/C14H22O/c1-8(2)14-7-13(5)6-12(3,4)10(14)9(14)11(13)15/h8-10H,6-7H2,1-5H3
InChIKeyIZEQHCDKTWURGG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.28
Rot. Bonds1

About 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one

3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one (PubChem CID 68577169) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one.

Molecular Properties

Compound Name3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one
PubChem CID68577169
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one
SMILESCC(C)C12CC3(C)CC(C)(C)C1C2C3=O
InChIInChI=1S/C14H22O/c1-8(2)14-7-13(5)6-12(3,4)10(14)9(14)11(13)15/h8-10H,6-7H2,1-5H3
InChIKeyIZEQHCDKTWURGG-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4,4,6-tetramethyltricyclo[4.2.1.03,8]nonan-7-one
CID 14665473
(1S)-1,5,5-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 130621923
(3S)-3,5,5-trimethyl-3-propan-2-ylpyrrolidin-2-one
CID 165387418
(1S,2R,4R)-2-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 101118192
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
1,3,5,7-tetramethyltricyclo[5.1.0.03,5]octane-2,6-dione
CID 535012
5-(2-methylcyclobuta-1,3-dien-1-yl)-1-propan-2-ylbicyclo[2.1.0]pentane
CID 91253320
4,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66108263
(1R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-6-one
CID 97304979
4,4-dimethyl-3-(3-methylbutan-2-ylsulfanyl)cyclohexan-1-one
CID 165491243
3-methyl-3-propan-2-ylbicyclo[2.2.1]heptan-2-one
CID 164833317
(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
CID 145215661

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one?
The IUPAC name of 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one (CID 68577169) is 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one.
What is the SMILES notation for 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one?
The canonical SMILES for 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one is CC(C)C12CC3(C)CC(C)(C)C1C2C3=O.
What is the InChIKey of 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one?
The InChIKey is IZEQHCDKTWURGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-8(2)14-7-13(5)6-12(3,4)10(14)9(14)11(13)15/h8-10H,6-7H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one?
3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one has a molecular weight of 206.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-propan-2-yltricyclo[3.2.1.02,7]octan-6-one is sourced from PubChem (CID 68577169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).