(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one

C13H20O — CID 135041682

IUPAC(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one
SMILESCC1(C)CCC[C@]2(C)C3C(=O)CC[C@@]312
InChIInChI=1S/C13H20O/c1-11(2)6-4-7-12(3)10-9(14)5-8-13(10,11)12/h10H,4-8H2,1-3H3/t10?,12-,13-/m1/s1
InChIKeyAWDLAYLBWVIFOG-SKVSWLLESA-N
MW192.30 g/mol
LogP3.18
Rot. Bonds

About (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one

(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one (PubChem CID 135041682) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one.

Molecular Properties

Compound Name(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one
PubChem CID135041682
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one
SMILESCC1(C)CCC[C@]2(C)C3C(=O)CC[C@@]312
InChIInChI=1S/C13H20O/c1-11(2)6-4-7-12(3)10-9(14)5-8-13(10,11)12/h10H,4-8H2,1-3H3/t10?,12-,13-/m1/s1
InChIKeyAWDLAYLBWVIFOG-SKVSWLLESA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22843968
2,3,3,4,4-pentamethylcyclohexan-1-one
CID 130436364
(1aS,4aR,8aR)-4a,8,8-trimethyl-1a,5,6,7-tetrahydro-1H-cyclopropa[j]naphthalen-2-one
CID 11481130
(3aS)-3a,6,6-trimethyl-3,4,5,6a-tetrahydro-2H-pentalen-1-one
CID 155116057
2,3,3-trimethylcyclopentan-1-one
CID 12842713
(1S,3R,4S,6R,7R,8R)-4,8,12,12-tetramethyl-5-oxatetracyclo[6.4.0.01,3.04,6]dodecan-7-ol
CID 10988274
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CID 15546633
methyl (1R,5R,6S)-6-chloro-1-methyl-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 101134119
3-ethenyl-10b-hydroxy-3,7,7,10a-tetramethyl-2,3a,5,6,6a,8,9,10-octahydro-1H-benzo[e]azulen-4-one
CID 162979749
trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one
CID 130993027
(4aS,8aR)-4a,8,8-trimethyl-2,3,4,5,7,8a-hexahydronaphthalene-1,6-dione
CID 102511334

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one?
The IUPAC name of (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one (CID 135041682) is (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one.
What is the SMILES notation for (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one?
The canonical SMILES for (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one is CC1(C)CCC[C@]2(C)C3C(=O)CC[C@@]312.
What is the InChIKey of (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one?
The InChIKey is AWDLAYLBWVIFOG-SKVSWLLESA-N. The full InChI is InChI=1S/C13H20O/c1-11(2)6-4-7-12(3)10-9(14)5-8-13(10,11)12/h10H,4-8H2,1-3H3/t10?,12-,13-/m1/s1.
What are the key properties of (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one?
(1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one has a molecular weight of 192.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6,10,10-trimethyltricyclo[4.4.0.01,5]decan-4-one is sourced from PubChem (CID 135041682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).