6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one

C15H24O — CID 11521404

IUPAC6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one
SMILESCC1(C)CC2CC1C1C(=O)CCC(C)(C)C21
InChIInChI=1S/C15H24O/c1-14(2)6-5-11(16)12-10-7-9(13(12)14)8-15(10,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyKWFSRLYDIXIWEF-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.67
Rot. Bonds

About 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one

6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one (PubChem CID 11521404) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one.

Molecular Properties

Compound Name6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one
PubChem CID11521404
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one
SMILESCC1(C)CC2CC1C1C(=O)CCC(C)(C)C21
InChIInChI=1S/C15H24O/c1-14(2)6-5-11(16)12-10-7-9(13(12)14)8-15(10,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyKWFSRLYDIXIWEF-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-trimethylcyclopentan-1-one
CID 12842713
(1R,6S)-5,5-dimethylbicyclo[4.2.0]octane-2,7-dione
CID 131856739
(3aS)-3a,6,6-trimethyl-3,4,5,6a-tetrahydro-2H-pentalen-1-one
CID 155116057
trans-(2S,3S)-2,3-dichloro-4,4-dimethylcyclohexan-1-one
CID 131008363
(3aR,7aR)-3a,7,7-trimethyl-2,3,4,5,6,7a-hexahydroinden-1-one
CID 95565259
(1R,5S)-5,6,6-trimethylbicyclo[3.1.1]heptan-2-one
CID 130754418
(1R,5R,7R)-7-methylbicyclo[3.2.0]heptan-2-one
CID 129321356
1,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
CID 140738374
6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one
CID 573500
(3aR,7aS)-5,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-inden-1-one
CID 131095996
ethane;2,2,3,4,4-pentamethylcyclohexan-1-one
CID 144627113
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823

Frequently Asked Questions

What is the IUPAC name of 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one?
The IUPAC name of 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one (CID 11521404) is 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one.
What is the SMILES notation for 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one?
The canonical SMILES for 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one is CC1(C)CC2CC1C1C(=O)CCC(C)(C)C21.
What is the InChIKey of 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one?
The InChIKey is KWFSRLYDIXIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2)6-5-11(16)12-10-7-9(13(12)14)8-15(10,3)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one?
6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one has a molecular weight of 220.36 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,10,10-tetramethyltricyclo[6.2.1.02,7]undecan-3-one is sourced from PubChem (CID 11521404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).